[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H20N2O5/c1-15-11-13-18(14-12-15)24-22(26)21(17-7-4-3-5-8-17)30-23(27)19-9-6-10-20(16(19)2)25(28)29/h3-14,21H,1-2H3,(H,24,26)