[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O6/c1-17(2)23(29-25(31)20-12-8-5-9-13-20)27(33)36-24(19-10-6-4-7-11-19)26(32)28-21-15-14-18(3)16-22(21)30(34)35/h4-17,23-24H,1-3H3,(H,28,32)(H,29,31)/t23-,24?/m0/s1