Molecule FYI-1011805

A

Molecule Summary:

ID: FYI-1011805
Names:
InChIKey: UZSXNOWPVBPHDR-UHFFFAOYSA-N
SMILES: Cc2cccc(NC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)c2

Received at FYIcenter.com on: 2024-08-11

Molecule ID: FYI-1011805 Edit

Molecule Structure InChIKey: UZSXNOWPVBPHDR-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cccc(NC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1011805
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   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
    6.0622    6.3000    0.0000 O   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
    3.6374    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
    3.6374    2.1000    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    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  2  0  0  0  0
 19 12  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  2  0  0  0  0
 22  6  2  0  0  0  0
 22  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011805-3D
FYIcenter.com

 33 34  0     0  0  0  0  0  0999 V2000
   -0.7541    2.0332   -0.7613 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7812   -3.5835   -0.3828 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9259    3.0588    0.4219 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9093   -3.1483   -0.0658 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3840    1.4191    0.4882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5415   -0.0358    0.0303 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193   -2.7719   -0.1944 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2077    1.8375    0.3638 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8206    0.4205   -0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9253    0.1645    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8470    1.3414    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1097   -0.9425   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5511    0.8811   -0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252   -1.3843   -0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1626    0.8997    0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1610   -0.6565    0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7807   -0.8566    0.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517   -0.4632    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4441    1.3847   -0.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6828    0.5643   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8244    1.5850   -0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0792   -1.7472    0.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6066    2.4007    0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3266   -1.6655   -0.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2603   -0.9361    0.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3757   -1.8099    0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4774   -0.8076    0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8597    2.2287   -0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7564    0.7321   -0.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2324    2.5349   -0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6247   -2.3501    1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0140   -1.3418    1.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3162   -2.4002   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 17  1  0  0  0  0
 10 19  2  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 16 22  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 21  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  2  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1460👍, 0💬