[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-13-9-10-17(22(25)26)20(15(13)3)21-18(23)12-27-19(24)11-14(2)16-7-5-4-6-8-16/h4-10,14H,11-12H2,1-3H3,(H,21,23)/t14-/m0/s1