Molecule Editor

Molecule ID: FYI-1014390 Edit

Molecule Structure InChIKey: VVCQMNLDCSWQQM-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OCC(COC(=O)Nc1cc(N=C=O)ccc1C)OC(=O)C(=C)C.C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014390
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
   12.1245    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 17 24  1  0  0  0  0
 10 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014390-3D
FYIcenter.com

 56 55  0  0  1  0  0  0  0  0999 V2000
    4.5218    5.8034    0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8139    4.7470    1.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8373    4.9113    2.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1287    3.3706    0.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913    2.4414    1.6093 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0916    3.2842   -0.4947 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3855    1.9790   -1.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9074    1.7483   -1.1775 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2020    0.3552   -1.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6269    0.0954   -1.7706 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9820   -1.0332   -1.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1637   -1.7541   -0.5493 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0314   -2.3209   -0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4421   -3.0670    0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0894   -4.1376    1.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4242   -4.7430    2.1514 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6357   -5.8901    2.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8637   -7.0303    2.4555 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3739   -4.4633    0.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9876   -3.7291   -0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3439   -2.6319   -0.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0986   -1.8399   -2.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3316    2.2237   -3.7955 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7851    4.8208   -3.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4702    4.1820   -5.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468    1.0952   -1.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3116    1.7693   -2.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 33  1  0  0  0  0
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M  END
$$$$