3-[(2,5-dimethoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid

Systemtic Name: 3-[(2,5-dimethoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid Openeye Name: 3-[(2,5-dimethoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid CAS Name: 3-[(2,5-dimethoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid IUPAC Name: 3-[(2,5-dimethoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid Traditional Name: 3-[(2,5-dimethoxybenzyl)-(4-nitrobenzyl)amino]benzoic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC(=C3)C(=O)O

InChI

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