Molecule Editor

Molecule ID: FYI-1014362 Edit

Molecule Structure InChIKey: HZHZTSJRFYCIJZ-XYOKQWHBSA-N

Molecule Structure SMILES String: O=C(O)/C(Cc1cc(F)cc(F)c1)=N/O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014362
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   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
    0.0000    4.2000    0.0000 F   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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 F   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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  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 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 15  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014362-3D
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.1919   -1.3204    1.9277 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4153   -0.6599    0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1009   -1.0768   -0.1464 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745    0.7952    0.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2722    1.4225    1.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7681    1.2911    1.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1235    0.2039    2.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700    0.1339    2.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8698   -0.8956    3.1461 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0468    1.1191    1.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4098    2.1793    1.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1429    3.1405    0.7393 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0191    2.2729    1.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2662    1.3606   -0.3677 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8428    2.6924   -0.3996 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350   -0.3443   -0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5452    2.4821    2.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517    0.9769    2.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6906   -0.5883    3.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1289    1.0643    1.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4360    3.1293    0.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1071    2.9918   -1.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
$$$$