[(1S)-1-(3-nitrophenyl)ethyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-13-7-8-14(2)18(11-13)19(22)9-10-20(23)26-15(3)16-5-4-6-17(12-16)21(24)25/h4-8,11-12,15H,9-10H2,1-3H3/t15-/m0/s1