2-[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-nitro-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-nitro-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-nitro-benzoyl]benzoic acid CAS Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-nitrobenzoyl]benzoic acid Traditional Name: 2-[4-[homoveratryl(methyl)amino]-3-nitro-benzoyl]benzoic acid Formula: C25H24N2O7 MolecularWeight: 464.46726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O7/c1-26(13-12-16-8-11-22(33-2)23(14-16)34-3)20-10-9-17(15-21(20)27(31)32)24(28)18-6-4-5-7-19(18)25(29)30/h4-11,14-15H,12-13H2,1-3H3,(H,29,30)