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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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