Molecule Editor

Molecule ID: FYI-1016763 Edit

Molecule Structure InChIKey: UXQYSMVELSLRDD-OVCLIPMQSA-N

Molecule Structure SMILES String: O=N(=O)c2ccc(O/N=C/c1ccc(F)cc1)c(N(=O)=O)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016763
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  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
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  2  0  0  0  0
 22 18  2  0  0  0  0
 22  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016763-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
   -7.0188    1.2694    0.8596 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325   -0.8752   -0.9868 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5255   -2.5532    1.5894 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3855   -3.2904   -0.2912 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2202    2.6970   -0.0639 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8644    0.8604    0.9516 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0587   -2.3516    0.4729 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0118    1.5159    0.3050 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9297   -0.1482   -0.4344 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017   -1.0126    0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3398   -0.3028   -0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7734    0.9018   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5185   -0.4104    0.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5946    1.0094   -1.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8114    1.6116   -0.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3492   -0.1964   -0.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5202   -0.8494   -0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4177    0.9517    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0570   -0.7132   -0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7598   -0.3543   -0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6573    1.4468    0.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8284    0.7938    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2550   -0.9821    0.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8572    1.5712   -1.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9758    2.6346   -1.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4831   -1.7451   -1.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5221    1.4810    0.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0584   -1.6260   -1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6718   -0.8625   -0.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7113    2.3406    1.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 26  1  0  0  0  0
 18 21  2  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 22  2  0  0  0  0
 20 29  1  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
M  END
$$$$