[(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2,5-dimethylbenzoate Openeye Name: [(1R)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [(1R)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H22N2O5/c1-15-9-11-17(3)19(13-15)24(28)31-22(18-7-5-4-6-8-18)23(27)25-20-12-10-16(2)14-21(20)26(29)30/h4-14,22H,1-3H3,(H,25,27)/t22-/m1/s1