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

Systemtic Name: [(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylbenzoate Openeye Name: [(1R)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 4-methylbenzoate CAS Name: 4-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] 4-methylbenzoate Traditional Name: 4-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)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-]

InChI

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