Molecule Editor

Molecule ID: FYI-1001178 Edit

Molecule Structure SMILES String: C1=CC(O[H])=CC=C1N(C(C)=O)[H]

Download SDF Download SVG Structure in 2D SDF:

FYI-1001178
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   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  1  0  0  0  0
  5 10  2  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001178-3D
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
   -1.3150   -1.0523   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0765   -1.2112   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8922   -0.0861    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2507   -0.1857    0.0163 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4974   -1.1244    0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3382    1.1854    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0511    1.3409   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920    0.2267   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3030    0.3070   -0.0321 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0710    1.4582   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5555    1.1901   -0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6640    2.6150   -0.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7951   -0.5758   -0.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9364   -1.9439   -0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4994   -2.2106   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803    2.0616    0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398    2.3541   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7892    0.1231   -0.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9784    1.6416   -0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0112    1.6457    0.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$