2-(1-oxidanylidene-1-phenyl-butan-2-yl)propanedinitrile

Systemtic Name: 2-(1-oxidanylidene-1-phenyl-butan-2-yl)propanedinitrile Openeye Name: 2-(1-benzoylpropyl)propanedinitrile CAS Name: 2-(1-oxo-1-phenylbutan-2-yl)propanedinitrile IUPAC Name: 2-(1-oxo-1-phenylbutan-2-yl)propanedinitrile Traditional Name: 2-(1-benzoylpropyl)malononitrile Formula: C13H12N2O MolecularWeight: 212.24718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O/c1-2-12(11(8-14)9-15)13(16)10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3