ethyl 2-cyano-3-(3-nitrophenyl)-5-oxidanylidene-5-phenyl-pentanoate

Systemtic Name: ethyl 2-cyano-3-(3-nitrophenyl)-5-oxidanylidene-5-phenyl-pentanoate Openeye Name: ethyl 2-cyano-3-(3-nitrophenyl)-5-oxo-5-phenyl-pentanoate CAS Name: 2-cyano-3-(3-nitrophenyl)-5-oxo-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-(3-nitrophenyl)-5-oxo-5-phenylpentanoate Traditional Name: 2-cyano-5-keto-3-(3-nitrophenyl)-5-phenyl-valeric acid ethyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-2-27-20(24)18(13-21)17(12-19(23)14-7-4-3-5-8-14)15-9-6-10-16(11-15)22(25)26/h3-11,17-18H,2,12H2,1H3