Molecule Editor

Molecule ID: FYI-1014358 Edit

Molecule Structure InChIKey: PNTMGOUAICFJQK-CSKARUKUSA-N

Molecule Structure SMILES String: O=C(O)/C(Cc1ccccc1)=N/O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014358
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    1.2125    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
    1.2125    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  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014358-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
    3.2327   -1.1801    0.5434 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6923   -1.7298   -1.0703 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    2.5495   -0.2352 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0191    1.3540   -0.6075 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    0.3889    1.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8355    0.1226    0.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6219    1.1820    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3112   -1.1859    0.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571    0.3562    0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8838    0.9333   -0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5731   -1.4347   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3594   -0.3751   -0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648   -0.9809   -0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358    1.3510    1.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7670   -0.3655    1.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2691    2.2074    0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7098   -2.0207    0.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4968    1.7582   -0.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9437   -2.4533   -0.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3421   -0.5688   -0.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6553   -2.0504    0.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8439    3.1868   -0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$