[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-butyric acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21ClN2O6/c1-12(2)19(13-4-6-14(21)7-5-13)20(25)29-11-18(24)22-16-10-15(23(26)27)8-9-17(16)28-3/h4-10,12,19H,11H2,1-3H3,(H,22,24)/t19-/m1/s1