Molecule FYI-1004367

Home > Molecule

A

Molecule Summary:

ID: FYI-1004367
Names:
InChIKey: JVUZRYQRTJRAHK-CCEZHUSRSA-N
SMILES: NC/C(=C(C(=O)O)/c1ccccc1)c2ccccc2

Received at FYIcenter.com on: 2023-09-02

Molecule ID: FYI-1004367 Edit

Molecule Structure InChIKey: JVUZRYQRTJRAHK-CCEZHUSRSA-N

Molecule Structure SMILES String: NC/C(=C(C(=O)O)/c1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004367
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1000    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
    0.0000    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
    2.4249    4.2000    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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   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
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    7.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  2  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004367-3D
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.0213    1.1198    1.0756 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5521    0.0722    0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8929    0.3141   -1.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0352    0.4682   -2.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.5436   -2.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1422    1.2935   -2.8999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0258   -0.3185   -1.3502 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511    0.6790   -3.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7974   -0.4184   -4.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277   -0.2229   -5.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114    1.0698   -6.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1676    2.1686   -5.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7361    1.9770   -4.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3727    0.3775   -1.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0310    1.6132   -1.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4244    1.6810   -1.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1706    0.5173   -1.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5242   -0.7134   -1.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1281   -0.7858   -1.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8889    0.8221    2.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    1.9514    0.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873   -0.0426    0.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0104   -0.8789    0.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5603   -1.0425   -1.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6465   -1.4335   -4.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4093   -1.0772   -6.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7354    1.2223   -7.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962    3.1762   -5.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281    2.8420   -3.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4634    2.5270   -1.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9244    2.6415   -1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2567    0.5685   -1.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1043   -1.6225   -1.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6431   -1.7555   -1.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1280👍, 0💬