Molecule FYI-1014414

A

Molecule Summary:

ID: FYI-1014414
Names:
InChIKey: ZCUQBBJLVLMYKK-FOCLMDBBSA-N
SMILES: Nc2ccc(/N=N/c1ccc(N(=O)=O)cc1)c(N)n2

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014414 Edit

Molecule Structure InChIKey: ZCUQBBJLVLMYKK-FOCLMDBBSA-N

Molecule Structure SMILES String: Nc2ccc(/N=N/c1ccc(N(=O)=O)cc1)c(N)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014414
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
   12.1244    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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 12  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 16  8  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 19  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014414-3D
FYIcenter.com

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2592    0.0253   -0.2439 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6327    0.0120   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3389    1.1994    0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7145    1.1424    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3609   -0.0925    0.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7573   -0.0950    0.6347 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479   -0.9398   -0.0677 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7515   -0.9072    0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4541   -0.2805    1.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8564   -0.2589    1.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5672   -0.8843    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0360   -0.8416    0.0728 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6007   -0.2318    0.9906 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6207   -1.4052   -0.8635 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8864   -1.5444   -0.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4888   -1.5543   -0.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5546   -1.2389    0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0747   -2.5334    0.4031 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2182   -1.1945    0.0596 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7684    0.5836    0.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471   -0.9427   -0.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8334    2.1533    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2857    2.0613    0.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9137    0.2061    1.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3699    0.2506    1.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4203   -2.0448   -1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9603   -2.0632   -1.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9227   -2.6291   -0.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.1868    0.1411 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 19  2  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  2  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
$$$$

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