Molecule Editor

Molecule ID: FYI-1016177 Edit

Molecule Structure InChIKey: DFZSBQYOXAUYCB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1c(N)cc(N)cc1N(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016177
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016177-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    2.5058   -1.6909   -0.0008 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8444    0.4782   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770   -0.5130    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7911    2.4870   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4307   -2.3205    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445    0.9978    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6713   -0.2937    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.1873   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5657   -1.2063   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1838   -1.3957    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0926    0.0852   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584    2.1845    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1998   -2.4138    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1707    0.2314   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6512    2.2290    0.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6833    2.2032   -0.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5553    3.1514   -0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7999    2.5776   -0.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2532    3.3175    0.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0501   -3.2573   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4327   -2.1834   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
$$$$