Molecule FYI-1001330

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Molecule Summary:

ID: FYI-1001330
SMILES: O=N(=O)c1cccc(c1)N(=O)=O

Received at FYIcenter.com on: 2022-05-19

Molecule ID: FYI-1001330 Edit

Molecule Structure SMILES String: O=N(=O)c1cccc(c1)N(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001330
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   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  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001330-3D
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.1293   -0.3460   -0.4481 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -0.0414    0.1129 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5909    1.1181    0.2828 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0409   -1.1339    0.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6233   -2.4636    0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4401   -3.5073    0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6718   -3.2283    1.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0821   -1.8960    1.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680   -0.8370    1.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3904   -1.6082    2.2446 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0953   -2.5719    2.5744 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7095   -0.4209    2.3826 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6706   -2.7018   -0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199   -4.5399    0.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2997   -4.0563    1.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5874    0.1952    1.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$

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2022-07-01, 692👍, 0💬