Molecule FYI-1003634

A

Molecule Summary:

ID: FYI-1003634
Names:
InChIKey: WCBPJVKVIMMEQC-UHFFFAOYSA-N
SMILES: O=N(=O)c3cc(N(=O)=O)c(NN(c1ccccc1)c2ccccc2)c(N(=O)=O)c3

Received at FYIcenter.com on: 2023-07-14

Molecule ID: FYI-1003634 Edit

Molecule Structure InChIKey: WCBPJVKVIMMEQC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)c3cc(N(=O)=O)c(NN(c1ccccc1)c2ccccc2)c(N(=O)=O)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003634
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.9410    6.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7253    7.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5096    6.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5096    4.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7253    4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9410    4.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    4.2112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3194    3.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2266    2.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2975    0.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5096    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5096    2.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0783    4.9130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8627    4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    4.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313    4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313    2.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    2.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8627    2.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2157    2.1056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    0.7019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    6.3168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8627    7.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313    7.0186    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  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
 13  8  1  0  0  0  0
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 26 24  2  0  0  0  0
 27 16  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003634-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
    1.5300   -2.3060    2.7363 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3271    3.2450   -1.5690 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4059   -1.3530    2.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5482    2.5295   -0.6800 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5523   -0.6536    0.7331 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4893    1.0801   -0.6120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6182    0.0332    0.0272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6518    0.5981    0.8485 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8346   -1.4291    2.1729 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6925    2.4507   -0.8365 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9190    0.2512    0.1375 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7424    0.5117    0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1257   -0.8760   -0.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9760    0.2971    0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4765   -0.4858    1.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4063    1.4223   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8576   -0.5716    1.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7873    1.3364   -0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5131    0.3394    0.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8906   -0.3772   -2.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9371   -0.6889    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9178   -2.1903   -0.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3028    2.0441   -0.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1706   -3.2696   -3.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7069    1.0208    1.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  8 30  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  2  0  0  0  0
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 13 20  2  0  0  0  0
 13 22  1  0  0  0  0
 14 21  2  0  0  0  0
 14 23  1  0  0  0  0
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 17 31  1  0  0  0  0
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 18 32  1  0  0  0  0
 20 24  1  0  0  0  0
 20 33  1  0  0  0  0
 21 25  1  0  0  0  0
 21 34  1  0  0  0  0
 22 26  2  0  0  0  0
 22 35  1  0  0  0  0
 23 27  2  0  0  0  0
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 24 28  2  0  0  0  0
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 25 29  2  0  0  0  0
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 26 28  1  0  0  0  0
 26 39  1  0  0  0  0
 27 29  1  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
 29 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 2369👍, 0💬