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

Systemtic Name: [6-cyano-1-(3,4-dimethoxyphenyl)-7-ethyl-2-nitro-6-(2,3,4-trimethoxyphenyl)nonan-3-yl] ethanoate Openeye Name: [4-cyano-1-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]-5-ethyl-4-(2,3,4-trimethoxyphenyl)heptyl] acetate CAS Name: acetic acid [6-cyano-1-(3,4-dimethoxyphenyl)-7-ethyl-2-nitro-6-(2,3,4-trimethoxyphenyl)nonan-3-yl] ester IUPAC Name: [6-cyano-1-(3,4-dimethoxyphenyl)-7-ethyl-2-nitro-6-(2,3,4-trimethoxyphenyl)nonan-3-yl] acetate Traditional Name: acetic acid [4-cyano-1-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]-5-ethyl-4-(2,3,4-trimethoxyphenyl)heptyl] ester Formula: C31H42N2O9 MolecularWeight: 586.67318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O9/c1-9-22(10-2)31(19-32,23-12-14-27(38-5)30(41-8)29(23)40-7)16-15-25(42-20(3)34)24(33(35)36)17-21-11-13-26(37-4)28(18-21)39-6/h11-14,18,22,24-25H,9-10,15-17H2,1-8H3