3-oxidanylidenepentanenitrile; 3-oxidanylidene-3-phenyl-propanenitrile

Systemtic Name: 3-oxidanylidenepentanenitrile; 3-oxidanylidene-3-phenyl-propanenitrile Openeye Name: 3-oxopentanenitrile; 3-oxo-3-phenyl-propanenitrile CAS Name: 3-oxopentanenitrile; 3-oxo-3-phenylpropanenitrile IUPAC Name: 3-oxopentanenitrile; 3-oxo-3-phenylpropanenitrile Traditional Name: 3-keto-3-phenyl-propionitrile; 3-ketovaleronitrile Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO.C5H7NO/c10-7-6-9(11)8-4-2-1-3-5-8;1-2-5(7)3-4-6/h1-5H,6H2;2-3H2,1H3