Molecule FYI-1007867

A

Molecule Summary:

ID: FYI-1007867
Names:
InChIKey: RYVWIVDFQUZRMC-UHFFFAOYSA-N
SMILES: O=[N+](O)c4ccc(Nc3nccc(Nc1cc([N+](=O)O)ccc1CN2CCOCC2)n3)cc4

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007867 Edit

Molecule Structure InChIKey: RYVWIVDFQUZRMC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(Nc3nccc(Nc1cc([N+](=O)O)ccc1CN2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007867
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
    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
    1.2125    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   13.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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
  9  4  1  0  0  0  0
 10  7  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
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 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
 31 20  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007867-3D
FYIcenter.com

 56 59  0  0  0  0  0  0  0  0999 V2000
   -2.4717    8.2828    8.1487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1315    7.1178    8.1600 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.9676    6.1950    8.7390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103    6.7046    7.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3600    5.4745    7.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7839    5.0372    7.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941    5.8008    6.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303    5.3743    5.5264 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4412    4.3548    5.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4271    4.2907    4.8631 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3984    3.4042    5.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4046    2.5803    6.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3294    2.6675    7.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625    1.6596    8.0787 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    1.6120    9.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2887    1.9544    9.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6699    1.7657   10.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2829    2.1722   11.0052 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2129    2.9579   10.2277 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3823    1.2151   11.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    0.7968   11.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3183    0.9692   10.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7318    0.4250   10.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7924   -1.0343   10.0561 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1936   -1.5081    9.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1813   -1.7482    7.5475 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8371    7.0492    5.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  4  5  1  0  0  0  0
  4 33  2  0  0  0  0
  5  6  2  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  2  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
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 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
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 32 33  1  0  0  0  0
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 33 56  1  0  0  0  0
M  END
$$$$

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2024-03-23, 149👍, 0💬