ethyl (2R,3R)-2-ethanoyl-3-(4-nitrophenyl)-5-oxidanylidene-5-phenyl-pentanoate

Systemtic Name: ethyl (2R,3R)-2-ethanoyl-3-(4-nitrophenyl)-5-oxidanylidene-5-phenyl-pentanoate Openeye Name: ethyl (2R,3R)-2-acetyl-3-(4-nitrophenyl)-5-oxo-5-phenyl-pentanoate CAS Name: (2R,3R)-2-acetyl-3-(4-nitrophenyl)-5-oxo-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-2-acetyl-3-(4-nitrophenyl)-5-oxo-5-phenylpentanoate Traditional Name: (2R,3R)-2-acetyl-5-keto-3-(4-nitrophenyl)-5-phenyl-valeric acid ethyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6/c1-3-28-21(25)20(14(2)23)18(13-19(24)16-7-5-4-6-8-16)15-9-11-17(12-10-15)22(26)27/h4-12,18,20H,3,13H2,1-2H3/t18-,20-/m0/s1