Molecule FYI-1002517

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A

Molecule Summary:

ID: FYI-1002517
Names:
InChIKey: HFZKOYWDLDYELC-UHFFFAOYSA-N
SMILES: Cc1ccc(N(=O)=[O:1])cc1C

Received at FYIcenter.com on: 2023-04-06

Molecule ID: FYI-1002517 Edit

Molecule Structure InChIKey: HFZKOYWDLDYELC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccc(N(=O)=[O:1])cc1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002517
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  1  0  0
    0.0000    3.5000    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  3  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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002517-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    3.0993    0.8770   -0.0001 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7765   -1.2944    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3365   -0.1192   -0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.3156   -0.7966    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274    0.5009    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640   -1.0023    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9593    1.5929   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9319    0.0896   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4203    1.3872   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2256   -1.9809   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3006    0.7458    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444   -2.0213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3415    2.6104   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    2.2615   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6675   -2.9237    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8598   -1.9804    0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8563   -1.9817   -0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7629    0.3159    0.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5339    1.8163   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7637    0.3138   -0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$

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2023-04-26, 1714👍, 0💬