Molecule Editor

Molecule ID: FYI-1001334 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1001334
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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
    7.0449    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6449    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    0.1876    0.0000 O   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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001334-3D
FYIcenter.com

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.8443   -0.4365   -1.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0400   -1.4455   -1.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1973   -1.1281   -0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6295    0.1984   -0.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8248    1.2079   -1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4113    0.8898   -1.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6574    0.4210    1.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9737    0.6272    1.2179 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0545    1.5250    0.3721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9071   -0.0955    1.5948 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8133   -0.6785   -2.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770   -2.4787   -1.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8267   -1.9151   -0.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5929    0.4456   -0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548    2.2430   -1.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0491    1.6772   -2.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8745    0.5790    1.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5775    1.1548    2.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -0.5992    2.2619 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 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5 15  1  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
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$