5-oxidanylidene-5-phenyl-4-(phenylcarbonyl)pentanenitrile

Systemtic Name: 5-oxidanylidene-5-phenyl-4-(phenylcarbonyl)pentanenitrile Openeye Name: 4-benzoyl-5-oxo-5-phenyl-pentanenitrile CAS Name: 4-benzoyl-5-oxo-5-phenylpentanenitrile IUPAC Name: 4-benzoyl-5-oxo-5-phenylpentanenitrile Traditional Name: 4-benzoyl-5-keto-5-phenyl-valeronitrile Formula: C18H15NO2 MolecularWeight: 277.3172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CCC#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CCC#N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H15NO2/c19-13-7-12-16(17(20)14-8-3-1-4-9-14)18(21)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12H2