Molecule Editor

Molecule ID: FYI-1014357 Edit

Molecule Structure InChIKey: YUOJENBXMNINIF-DHZHZOJOSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014357
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 Cl  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-1014357-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
    4.6794    0.4100   -0.7460 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0817    1.5747    0.7600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3486    1.5398   -1.4177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9124   -2.5196   -0.2562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540   -1.2999   -0.6613 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444   -0.1927    0.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9561   -0.3927    1.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095   -1.2895    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9893    1.0905    0.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9609   -0.3185    0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5194   -1.1031   -0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2992    1.2771    0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0642    0.1802   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4918    1.0437   -0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0493   -1.3536    1.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040    0.3579    1.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8008   -2.2956    0.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036    1.9536    0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1040   -1.9670   -0.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105    2.2828    0.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322    2.4744    0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664   -3.1421   -0.8489 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
$$$$