Molecule Editor

Molecule ID: FYI-1007493 Edit

Molecule Structure InChIKey: BWRBVBFLFQKBPT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)c1ccccc1CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1007493
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 O   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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1999    0.0000 O   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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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
  1 10  2  0  0  0  0
  3  2  2  0  0  0  0
  4 10  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 11  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007493-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    1.5835   -2.6479   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7856    0.7746   -0.0011 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0727   -1.3017   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8562   -0.0669    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5562   -0.5029    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5110    0.3951    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3289   -1.9804    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677   -0.0277   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670    1.7684    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117    1.3457   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0444    2.2438   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835   -2.3061    0.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -2.3060   -0.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343   -0.6816   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707    2.5003    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1326    1.7167   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2351    3.3130   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4007   -3.6031   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
$$$$