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

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2S)-2-(4-chlorophenyl)-3-methyl-butyric acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C(C2=CC=C(C=C2)Cl)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5/c1-12(2)19(14-4-6-15(21)7-5-14)20(25)28-11-18(24)22-17-9-8-16(23(26)27)10-13(17)3/h4-10,12,19H,11H2,1-3H3,(H,22,24)/t19-/m0/s1