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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-butyric acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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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=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O5/c1-12(2)19(13-3-5-15(21)6-4-13)20(26)29-11-18(25)23-17-8-7-16(24(27)28)9-14(17)10-22/h3-9,12,19H,11H2,1-2H3,(H,23,25)/t19-/m1/s1