Molecule Editor

Molecule ID: FYI-1005395 Edit

Molecule Structure InChIKey: CMWKITSNTDAEDT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=Cc1ccccc1N(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005395
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
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    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
    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  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  9  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005395-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    1.6074    2.2598   -0.0899 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3363    0.2082    0.1908 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794   -2.3660   -0.5973 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4019    1.0307    0.0449 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0617    0.5529    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2205   -0.8051    0.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9786    1.4679   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5430   -1.2484    0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3012    1.0247   -0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.3334    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8399   -1.7914    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8011    2.5339   -0.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -2.3042    0.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1117    1.7367   -0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6131   -0.6783   -0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1202   -2.0137    1.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$