Molecule FYI-1000306

Home > Molecule

A

Molecule Summary:

ID: FYI-1000306
SMILES: COCCNC(=O)C(=O)N/N=C/c1cccc(c1OC)OC

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000306 Edit

Molecule Structure SMILES String: COCCNC(=O)C(=O)N/N=C/c1cccc(c1OC)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000306
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000306-3D
FYIcenter.com

 41 41  0  0  0  0  0  0  0  0999 V2000
    2.9837    3.7466   -0.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2715    2.5279   -1.4095 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2401    1.7499   -0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4966    0.4431   -1.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680    0.6534   -2.7645 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4147    0.7913   -3.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3104    0.7037   -2.1745 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7507    1.0712   -4.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8343    1.1895   -5.2892 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1115    1.1490   -4.7236 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625    1.3530   -5.9904 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8422    1.4367   -6.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4082    1.6413   -7.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5975    2.3312   -8.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0761    2.6508   -9.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3674    2.2797  -10.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1880    1.5914   -9.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7043    1.2416   -7.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5971    0.6118   -7.0387 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1227   -0.5291   -6.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4627    1.1812   -9.4694 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1571    1.9901  -10.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2739    4.3174   -1.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8929    4.3423   -0.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5280    3.5441    0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8457    1.5183    0.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672    2.3244   -0.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5540   -0.0914   -1.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1723   -0.1928   -0.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4482    0.8843   -3.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7533    1.0301   -3.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5410    1.3614   -5.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5925    2.6437   -8.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4445    3.1944  -10.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7056    2.5295  -11.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9100   -1.2894   -6.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2183   -0.9727   -6.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9568   -0.2529   -5.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058    1.6778  -10.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1235    3.0490  -10.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7710    1.8424  -11.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-06, 2654👍, 1💬