Molecule Editor

Molecule ID: FYI-1014359 Edit

Molecule Structure InChIKey: ZSPVBNBIOVHBBG-DHZHZOJOSA-N

Molecule Structure SMILES String: O=C(O)/C(Cc1cccc(F)c1)=N/O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014359
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    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
    4.8497    2.8000    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
    2.4249    2.8000    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    2.8000    0.0000 F   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
    2.4249    0.0000    0.0000 C   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  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  2  0  0  0  0
 14  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014359-3D
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.2714   -0.7983   -2.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4553   -0.2988   -1.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1150   -0.8729   -0.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9912    1.1099   -0.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2436    1.8920   -1.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7447    1.7181   -1.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0947    0.7183   -2.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2889    0.5385   -2.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379    1.3562   -1.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3996    2.3581   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1184    3.1561    0.0110 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0239    2.5459   -0.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2960    1.5010    0.4653 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8511    2.8035    0.7072 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1278   -0.2458    0.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5984    1.5970   -2.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4955    2.9546   -1.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6607    0.0715   -3.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7809   -0.2409   -2.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1099    1.2215   -1.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    3.3436   -0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983    2.9551    1.6405 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 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  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
 14 22  1  0  0  0  0
M  END
$$$$