Molecule Editor

Molecule ID: FYI-1015761 Edit

Molecule Structure InChIKey: QZBGOTVBHYKUDS-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc(=O)[nH][nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015761
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015761-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
    2.3010   -0.5819    0.0062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6198    1.1618   -0.0192 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7340    1.1672    0.0164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4126   -0.4851    0.0215 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1001   -0.1262   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0651   -0.9886   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1626   -0.1472    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1796    1.9666    0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0798   -2.0648   -0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2604    2.0304    0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6732   -1.4631    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1224    0.2359    0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
$$$$