Molecule Editor

Molecule ID: FYI-1015332 Edit

Molecule Structure InChIKey: QWTWJIZWUSGKIS-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OOC(=O)c1ccc(N(=O)=O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015332
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
   10.3995    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015332-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
   -3.2113   -0.5567    0.1120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8526   -0.0450   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3520   -2.2366    0.5118 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2494   -0.2568   -0.4749 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6747    1.7557    0.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3818    0.5713   -0.1060 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.0536    0.5648   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7484    1.0753   -1.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5008    0.0868   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7737    1.6450    0.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946   -0.6540    0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0211   -1.0903    0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3474   -1.5654   -0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    0.6488    0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0271    0.1554   -0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6780   -1.1563   -0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0455    1.0580    0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8134    0.2617   -2.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4523    1.8610   -1.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7394    1.4935   -1.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7095   -0.3244    0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6922   -0.7214   -0.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2098    0.8978   -0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7639    2.0605    0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4785    2.4783    0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8581    1.2373    1.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0872   -2.5882   -0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279    1.3666    0.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4157   -1.8864   -0.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813    2.0865    0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
$$$$