Molecule FYI-1014400

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A

Molecule Summary:

ID: FYI-1014400
Names:
InChIKey: OZZKMZSOGAOIFX-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(O)cc1N(=O)=O

Received at FYIcenter.com on: 2025-04-14

Molecule ID: FYI-1014400 Edit

Molecule Structure InChIKey: OZZKMZSOGAOIFX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)Nc1ccc(O)cc1N(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014400
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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    3.5000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  2  0  0  0  0
 14  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014400-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
    3.6842    1.4695   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7926    1.8773   -0.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277   -2.9234   -0.0013 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7243   -2.4902    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6182   -0.1662    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711   -2.1140   -0.0003 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2756    0.2248    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7519   -0.7187    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276    1.5862    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826   -0.3004    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3858    1.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583    2.0043    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7540    0.6512    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0245   -0.1613    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7036    2.3812    0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9082   -1.0084   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8057   -1.1625    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5829    3.0678    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0696   -0.7772   -0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8910    0.5056    0.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0537   -0.8049    0.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7086    2.4419   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 22  1  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
$$$$

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2025-04-26, 520👍, 0💬