[1-(1,3-benzodioxol-2-yl)-6-cyano-6-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-methyl-2-nitro-octan-3-yl] ethanoate

Systemtic Name: [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-methyl-2-nitro-octan-3-yl] ethanoate Openeye Name: [1-[2-(1,3-benzodioxol-2-yl)-1-nitro-ethyl]-4-cyano-4-(2,5-diethoxy-3,4-dimethoxy-phenyl)-5-methyl-hexyl] acetate CAS Name: acetic acid [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-methyl-2-nitrooctan-3-yl] ester IUPAC Name: [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-methyl-2-nitrooctan-3-yl] acetate Traditional Name: acetic acid [1-[2-(1,3-benzodioxol-2-yl)-1-nitro-ethyl]-4-cyano-4-(2,5-diethoxy-3,4-dimethoxy-phenyl)-5-methyl-hexyl] ester Formula: C31H40N2O10 MolecularWeight: 600.6567

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)C(CCC(C(CC2OC3=CC=CC=C3O2)[N+](=O)[O-])OC(=O)C)(C#N)C(C)C)OCC)OC)OC

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)C(CCC(C(CC2OC3=CC=CC=C3O2)[N+](=O)[O-])OC(=O)C)(C#N)C(C)C)OCC)OC)OC

InChI

InChI=1S/C31H40N2O10/c1-8-39-26-16-21(28(40-9-2)30(38-7)29(26)37-6)31(18-32,19(3)4)15-14-23(41-20(5)34)22(33(35)36)17-27-42-24-12-10-11-13-25(24)43-27/h10-13,16,19,22-23,27H,8-9,14-15,17H2,1-7H3