[(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methylbenzoate

Systemtic Name: [(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methylbenzoate Openeye Name: [(1R)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(1R)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-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=CC(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5/c1-15-7-6-10-18(13-15)23(27)30-21(17-8-4-3-5-9-17)22(26)24-19-12-11-16(2)14-20(19)25(28)29/h3-14,21H,1-2H3,(H,24,26)/t21-/m1/s1