Molecule FYI-1004289

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Molecule Summary:

ID: FYI-1004289
Names:
InChIKey: JHYGZQJUKABRAV-UHFFFAOYSA-O
SMILES: O=C(NO)c1cccc([N+](=O)O)c1

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

Molecule ID: FYI-1004289 Edit

Molecule Structure InChIKey: JHYGZQJUKABRAV-UHFFFAOYSA-O

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004289
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  3  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  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004289-3D
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.8608   -0.8621   -0.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2731   -0.0247   -0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8990    0.0307   -0.0881 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2113   -0.8814   -0.9237 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0163    1.0121    0.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133    1.5307    1.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2397    2.4903    2.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4726    2.9327    2.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    2.3987    0.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2628    2.8508    0.3264 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4200    2.9421   -0.8734 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3055    3.1790    1.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2593    1.4409    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4013    0.8840    0.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9482   -1.3945   -1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692    1.1797    2.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8426    2.8918    3.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0083    3.7019    2.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9988    2.8350    2.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571    1.0363   -0.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2783👍, 0💬