[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5/c1-13-8-9-16(11-17(13)20(23)24)18(21)12-25-19(22)10-14(2)15-6-4-3-5-7-15/h3-9,11,14H,10,12H2,1-2H3/t14-/m0/s1