[6-cyano-1,6-bis(3,4-dimethoxyphenyl)-7-methyl-2-nitro-nonan-3-yl] ethanoate

Systemtic Name: [6-cyano-1,6-bis(3,4-dimethoxyphenyl)-7-methyl-2-nitro-nonan-3-yl] ethanoate Openeye Name: [4-cyano-4-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]-5-methyl-heptyl] acetate CAS Name: acetic acid [6-cyano-1,6-bis(3,4-dimethoxyphenyl)-7-methyl-2-nitrononan-3-yl] ester IUPAC Name: [6-cyano-1,6-bis(3,4-dimethoxyphenyl)-7-methyl-2-nitrononan-3-yl] acetate Traditional Name: acetic acid [4-cyano-4-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]-5-methyl-heptyl] ester Formula: C29H38N2O8 MolecularWeight: 542.62062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

Isomeric SMILES

CCC(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

InChI

InChI=1S/C29H38N2O8/c1-8-19(2)29(18-30,22-10-12-26(36-5)28(17-22)38-7)14-13-24(39-20(3)32)23(31(33)34)15-21-9-11-25(35-4)27(16-21)37-6/h9-12,16-17,19,23-24H,8,13-15H2,1-7H3