ethyl (3S)-3-(4-methylphenyl)-4-nitro-2-(phenylcarbonyl)butanoate

Systemtic Name: ethyl (3S)-3-(4-methylphenyl)-4-nitro-2-(phenylcarbonyl)butanoate Openeye Name: ethyl (3S)-2-benzoyl-4-nitro-3-(p-tolyl)butanoate CAS Name: (3S)-2-benzoyl-3-(4-methylphenyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl (3S)-2-benzoyl-3-(4-methylphenyl)-4-nitrobutanoate Traditional Name: (3S)-2-benzoyl-4-nitro-3-(p-tolyl)butyric acid ethyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-3-26-20(23)18(19(22)16-7-5-4-6-8-16)17(13-21(24)25)15-11-9-14(2)10-12-15/h4-12,17-18H,3,13H2,1-2H3/t17-,18?/m1/s1