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

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

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