[6-cyano-1-(3,4-dimethoxyphenyl)-7-methyl-2-nitro-6-(3,4,5-trimethoxyphenyl)octan-3-yl] ethanoate

Systemtic Name: [6-cyano-1-(3,4-dimethoxyphenyl)-7-methyl-2-nitro-6-(3,4,5-trimethoxyphenyl)octan-3-yl] ethanoate Openeye Name: [4-cyano-1-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]-5-methyl-4-(3,4,5-trimethoxyphenyl)hexyl] acetate CAS Name: acetic acid [6-cyano-1-(3,4-dimethoxyphenyl)-7-methyl-2-nitro-6-(3,4,5-trimethoxyphenyl)octan-3-yl] ester IUPAC Name: [6-cyano-1-(3,4-dimethoxyphenyl)-7-methyl-2-nitro-6-(3,4,5-trimethoxyphenyl)octan-3-yl] acetate Traditional Name: acetic acid [4-cyano-1-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]-5-methyl-4-(3,4,5-trimethoxyphenyl)hexyl] ester Formula: C29H38N2O9 MolecularWeight: 558.62002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C(CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-])OC(=O)C)(C#N)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C)C(CCC(C(CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-])OC(=O)C)(C#N)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C29H38N2O9/c1-18(2)29(17-30,21-15-26(37-6)28(39-8)27(16-21)38-7)12-11-23(40-19(3)32)22(31(33)34)13-20-9-10-24(35-4)25(14-20)36-5/h9-10,14-16,18,22-23H,11-13H2,1-8H3