Molecule FYI-1004767

A

Molecule Summary:

ID: FYI-1004767
Names:
InChIKey: OZOMQRBLCMDCEG-VIZOYTHASA-N
SMILES: O=C3CN(/N=C/c2ccc(c1ccc(N(=O)=O)cc1)o2)C(=O)N3

Received at FYIcenter.com on: 2023-09-23

Molecule ID: FYI-1004767 Edit

Molecule Structure InChIKey: OZOMQRBLCMDCEG-VIZOYTHASA-N

Molecule Structure SMILES String: O=C3CN(/N=C/c2ccc(c1ccc(N(=O)=O)cc1)o2)C(=O)N3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004767
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.1020    8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0389    9.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4312    8.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3389   10.3152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9694   10.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9291   10.9611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8231    8.6319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6107    7.9319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3982    8.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1858    7.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069    8.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9700    7.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6700    6.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0395    6.5396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006    4.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1388    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540    2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  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
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004767-3D
FYIcenter.com

 33 35  0     0  0  0  0  0  0999 V2000
    0.2278   -0.2544   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0991    2.9676    0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0940   -1.6217    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4267    0.3086    0.0014 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5601    2.3255   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3816   -0.0159    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4765    0.6736    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250   -0.8537    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4348    1.0770    0.0005 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.2396    1.4078   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2418   -1.1547   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5671   -0.5852   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -0.9754   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7021    1.8107   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6955   -0.4652    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7604   -2.4381   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6502   -2.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848   -1.4196    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7309    0.8001   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1556   -0.2622    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1302    0.5165    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9663   -0.8688    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    1.3508   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7674    1.7658   -0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7673    1.7663    0.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3344   -3.3538   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4899    0.6713    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3717   -3.1281    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5896   -2.5023    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8851    1.4830   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0170    0.8314   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8141   -1.5493    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1023    2.4342   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 27  1  0  0  0  0
  8 20  2  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 17  2  0  0  0  0
 13 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 28  1  0  0  0  0
 18 22  1  0  0  0  0
 18 29  1  0  0  0  0
 19 23  2  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-05, 827👍, 0💬