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

Systemtic Name: 3-[(2-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid Openeye Name: 3-[(2-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid CAS Name: 3-[(2-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid IUPAC Name: 3-[(2-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]benzoic acid Traditional Name: 3-[(4-nitrobenzyl)-o-anisyl-amino]benzoic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H20N2O5/c1-29-21-8-3-2-5-18(21)15-23(20-7-4-6-17(13-20)22(25)26)14-16-9-11-19(12-10-16)24(27)28/h2-13H,14-15H2,1H3,(H,25,26)