Molecule Editor

Molecule ID: FYI-1014360 Edit

Molecule Structure InChIKey: ODKBAVICQOSXKR-DHZHZOJOSA-N

Molecule Structure SMILES String: O=C(O)/C(Cc1ccc(F)cc1)=N/O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014360
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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   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  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  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-1014360-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
    4.3329   -0.4221   -0.6917 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2433   -1.4200    0.7688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4741   -1.4543   -1.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6188    2.5250   -0.2805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2811    1.3618   -0.6724 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4804    0.1349    0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9111    0.3357    1.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9953   -1.1551    0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2671    1.2365    0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9271    0.3532    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2967   -1.3435    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5685    1.0483   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0833   -0.2418   -0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5687   -0.9585   -0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1691   -0.4525    1.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9835    1.2700    1.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3924   -2.0220    0.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8885    2.2489    0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978   -2.3477   -0.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1823    1.9058   -0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6911   -2.2727    0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9772    3.1754   -0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$