Molecule Editor

Molecule ID: FYI-1001349 Edit

Molecule Structure SMILES String: C1=CC=C(C=C1)C(=O)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001349
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.8660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001349-3D
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.3569   -0.2086    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4911   -1.3024   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8910   -1.1016   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4076    0.2004   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5346    1.2937   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8453    1.0886    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8684    0.4685   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3471    1.5068    0.3145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6612   -0.4725   -0.7197 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4319   -0.3671    0.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946   -2.3120   -0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5486   -1.9658   -0.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9300    2.3078   -0.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5191    1.9413    0.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2853   -1.2027   -1.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6316   -0.2159   -0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$