3-[(2,3-dimethoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid

Systemtic Name: 3-[(2,3-dimethoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid Openeye Name: 3-[(2,3-dimethoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid CAS Name: 3-[(2,3-dimethoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid IUPAC Name: 3-[(2,3-dimethoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid Traditional Name: 3-[(4-nitrobenzyl)-o-veratryl-amino]benzoic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H22N2O6/c1-30-21-8-4-6-18(22(21)31-2)15-24(20-7-3-5-17(13-20)23(26)27)14-16-9-11-19(12-10-16)25(28)29/h3-13H,14-15H2,1-2H3,(H,26,27)