Molecule FYI-1015873

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Molecule Summary:

ID: FYI-1015873
Names:
InChIKey: MHSKRLJMQQNJNC-UHFFFAOYSA-N
SMILES: NC(=O)c1ccc(C(N)=O)cc1

Received at FYIcenter.com on: 2025-10-27

Molecule ID: FYI-1015873 Edit

Molecule Structure InChIKey: MHSKRLJMQQNJNC-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)c1ccc(C(N)=O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015873
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    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
    1.2124    4.9000    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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  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
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015873-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
   -3.4755   -1.1308    0.0143 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4757    1.1305    0.0148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    1.1620   -0.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5205   -1.1622   -0.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3946   -0.0277   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3946    0.0279   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7215    1.1939   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6731    1.2217   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6732   -1.2216   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214   -1.1937   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482   -0.0568   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8485    0.0568   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160    2.1578   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759    2.1854   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1758   -2.1854   -0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159   -2.1576   -0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0916    2.0782   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5360    1.1684    0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0912   -2.0782   -0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5358   -1.1689    0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2025-11-06, 428👍, 0💬