benzenecarbonitrile; 1-phenylpropan-1-one

Systemtic Name: benzenecarbonitrile; 1-phenylpropan-1-one Openeye Name: benzonitrile; 1-phenylpropan-1-one CAS Name: benzonitrile; 1-phenyl-1-propanone IUPAC Name: benzonitrile; 1-phenylpropan-1-one Traditional Name: benzonitrile; propiophenone Formula: C16H15NO MolecularWeight: 237.2964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O.C7H5N/c1-2-9(10)8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7/h3-7H,2H2,1H3;1-5H