[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethanoyl-2-methyl-indol-5-yl] 3-nitrobenzoate

Systemtic Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethanoyl-2-methyl-indol-5-yl] 3-nitrobenzoate Openeye Name: [3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-indol-5-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-indolyl] ester IUPAC Name: [3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylindol-5-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (3-acetyl-1-homoveratryl-2-methyl-indol-5-yl) ester Formula: C28H26N2O7 MolecularWeight: 502.51524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCC3=CC(=C(C=C3)OC)OC)C=CC(=C2)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CCC3=CC(=C(C=C3)OC)OC)C=CC(=C2)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C28H26N2O7/c1-17-27(18(2)31)23-16-22(37-28(32)20-6-5-7-21(15-20)30(33)34)9-10-24(23)29(17)13-12-19-8-11-25(35-3)26(14-19)36-4/h5-11,14-16H,12-13H2,1-4H3