Molecule FYI-1004288

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Molecule Summary:

ID: FYI-1004288
Names:
InChIKey: IUMZQPHTWYZQAO-UHFFFAOYSA-N
SMILES: O=C(NO)c1cccc(N(=O)=O)c1

Received at FYIcenter.com on: 2023-08-27

Molecule ID: FYI-1004288 Edit

Molecule Structure InChIKey: IUMZQPHTWYZQAO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NO)c1cccc(N(=O)=O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004288
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    1.2125    2.1000    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
    1.2125    0.7000    0.0000 N   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 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  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  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004288-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
   -2.2225   -1.6211    0.5576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4376   -0.3919   -0.3464 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8941   -0.1117   -0.1219 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6974   -1.9520   -0.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7867   -0.7012   -0.0969 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.1933    0.2549   -0.3651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8124    0.1982    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3549   -0.5613    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979    0.0710   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7366    1.5901    0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736    1.4628    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5064    2.2224    0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1087   -0.4605    0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791   -1.6454   -0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6212    2.2145    0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242    1.9897    0.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5656    3.3060    0.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1630    1.1583   -0.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8137   -0.0708   -1.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
$$$$

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2023-09-07, 1952👍, 0💬