Molecule Editor

Molecule ID: FYI-1015735 Edit

Molecule Structure InChIKey: TWFZGCMQGLPBSX-QFFDRWTDSA-N

Molecule Structure SMILES String: [2H]c2c([2H])c([2H])c1[nH]c(NC(=O)OC)nc1c2[2H]

Download SDF Download SVG Structure in 2D SDF:

FYI-1015735
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.1655    0.0000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    8.4655    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    2.4249    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    8.4655    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.8497    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1286    4.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    2.7160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    0.0000    0.0000 H   1  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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  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  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  2  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015735-3D
FYIcenter.com

 23 24  0     0  0  0  0  0  0999 V2000
    4.0235   -0.5054    0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6786    1.3415   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0524    0.6615   -0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5217   -1.5110   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.8354   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215    0.5828   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895   -0.7834   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4391   -0.6142   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180    1.5594   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0254   -1.2192    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7419    1.1078    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0422   -0.2563    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8061    0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1736    0.3486    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4908    1.5143   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1823    2.6175   -0.0005 H   1  0  0  0  0  0  0  0  0  0  0  0
   -3.2693   -2.2767    0.0010 H   1  0  0  0  0  0  0  0  0  0  0  0
   -4.5518    1.8331    0.0011 H   1  0  0  0  0  0  0  0  0  0  0  0
   -5.0810   -0.5766    0.0017 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.0758   -1.8111   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1838    0.9699   -0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0656   -0.2835    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1828    0.9700    0.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
$$$$