Molecule FYI-1001775

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A

Molecule Summary:

ID: FYI-1001775
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=O)Cl

Received at FYIcenter.com on: 2022-11-29

Molecule ID: FYI-1001775 Edit

Molecule Structure SMILES String: C1=CC(=C(C=C1[N+](=O)[O-])C=O)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001775
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   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
    2.4249    4.2000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001775-3D
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.7074    1.2140    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3095    1.2159   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030    0.0101   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895   -1.2083   -0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6947   -1.2173   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966   -0.0054    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8658   -0.0107    0.0346 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4419    1.0861    0.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382   -1.1077    0.0378 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4162   -2.5079   -0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2029   -3.5660   -0.0478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1261    0.1118   -0.0310 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2387    2.1647    0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2203    2.1675   -0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2265   -2.1693   -0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5168   -2.5054   -0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2023-01-06, 896👍, 0💬