4-[[(4-chlorophenyl)carbonyl-[(4-methylphenyl)methyl]amino]methyl]-3-nitro-benzoic acid

Systemtic Name: 4-[[(4-chlorophenyl)carbonyl-[(4-methylphenyl)methyl]amino]methyl]-3-nitro-benzoic acid Openeye Name: 4-[[(4-chlorobenzoyl)-(p-tolylmethyl)amino]methyl]-3-nitro-benzoic acid CAS Name: 4-[[[(4-chlorophenyl)-oxomethyl]-[(4-methylphenyl)methyl]amino]methyl]-3-nitrobenzoic acid IUPAC Name: 4-[[(4-chlorobenzoyl)-[(4-methylphenyl)methyl]amino]methyl]-3-nitrobenzoic acid Traditional Name: 4-[[(4-chlorobenzoyl)-(4-methylbenzyl)amino]methyl]-3-nitro-benzoic acid Formula: C23H19ClN2O5 MolecularWeight: 438.86036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H19ClN2O5/c1-15-2-4-16(5-3-15)13-25(22(27)17-8-10-20(24)11-9-17)14-19-7-6-18(23(28)29)12-21(19)26(30)31/h2-12H,13-14H2,1H3,(H,28,29)