Molecule Editor

Molecule ID: FYI-1016760 Edit

Molecule Structure InChIKey: HCPCFMXSDGNGNB-SDNWHVSQSA-N

Molecule Structure SMILES String: C/C(C)=C\CC/C(C)=C/COC(=O)c1ccc(N(=O)=O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016760
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016760-3D
FYIcenter.com

 43 43  0     0  0  0  0  0  0999 V2000
   -0.5704    1.7238    0.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    3.4839   -0.4166 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0242   -0.9941    0.2628 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6207   -2.6180   -0.1976 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641   -1.4064    0.0204 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.9588    0.2901    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9134   -1.2075    0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7667    1.0661   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6982   -1.8882    0.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8961    1.7470    0.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6092    1.0704   -1.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7809   -2.6286    0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7198    2.5598    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793   -2.9110   -1.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6277   -3.2407    0.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150    1.3397   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5960    2.3152   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9898    1.7948    0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450    0.0080   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7942   -0.4736   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0409    0.8782    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4961   -0.9087   -0.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0444    1.7091    1.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5168    1.4684   -1.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4520    0.0547   -1.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7717    1.6615   -1.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8679    3.0303   -0.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705    3.3683    1.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -2.4752   -1.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6492   -2.5176   -1.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7622   -3.9923   -1.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6774   -2.8714    0.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6468   -4.3309    0.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6508   -3.0044    1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1935    2.8441    0.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457   -0.3540   -0.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0389    1.2531    0.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.9535   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  2 17  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 27  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 40  1  0  0  0  0
 19 22  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
$$$$