Molecule Editor

Molecule ID: FYI-1001013 Edit

Molecule Structure SMILES String: C1=CC=CC2N(O)C(NC(=O)O)=NC1=2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001013
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.2531    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    2.0923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7433    3.0292    0.0000 O   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
    2.4249    0.0000    0.0000 N   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
    1.2124    2.1000    0.0000 O   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
    4.9162    0.1306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.1710    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 14  1  1  0  0  0  0
 14  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001013-3D
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.7858   -1.3949    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0362   -0.7683    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1365    0.6240   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9979    1.4407   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2436    0.7933   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5454    1.2252   -0.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9872    2.5493   -0.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    0.1300    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7397    0.2246    0.0041 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5909   -0.8443    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8061   -0.6958    0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0189   -2.0681    0.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6823   -0.9900    0.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3658   -0.5967    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998   -2.4764    0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9364   -1.3783    0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    1.0831   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0946    2.5211   -0.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416    3.0233    0.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1739    1.1388   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0376   -1.9815    0.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$