ethyl 4-cyano-4-(4-nitrophenyl)-3-phenyl-butanoate

Systemtic Name: ethyl 4-cyano-4-(4-nitrophenyl)-3-phenyl-butanoate Openeye Name: ethyl 4-cyano-4-(4-nitrophenyl)-3-phenyl-butanoate CAS Name: 4-cyano-4-(4-nitrophenyl)-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-cyano-4-(4-nitrophenyl)-3-phenylbutanoate Traditional Name: 4-cyano-4-(4-nitrophenyl)-3-phenyl-butyric acid ethyl ester Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4/c1-2-25-19(22)12-17(14-6-4-3-5-7-14)18(13-20)15-8-10-16(11-9-15)21(23)24/h3-11,17-18H,2,12H2,1H3