3-(3-methanoyl-2-oxidanylidene-1-phenyl-cyclohexyl)propanenitrile

Systemtic Name: 3-(3-methanoyl-2-oxidanylidene-1-phenyl-cyclohexyl)propanenitrile Openeye Name: 3-(3-formyl-2-oxo-1-phenyl-cyclohexyl)propanenitrile CAS Name: 3-(3-formyl-2-oxo-1-phenylcyclohexyl)propanenitrile IUPAC Name: 3-(3-formyl-2-oxo-1-phenylcyclohexyl)propanenitrile Traditional Name: 3-(3-formyl-2-keto-1-phenyl-cyclohexyl)propionitrile Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(C1)(CCC#N)C2=CC=CC=C2)C=O

Isomeric SMILES

C1CC(C(=O)C(C1)(CCC#N)C2=CC=CC=C2)C=O

InChI

InChI=1S/C16H17NO2/c17-11-5-10-16(14-7-2-1-3-8-14)9-4-6-13(12-18)15(16)19/h1-3,7-8,12-13H,4-6,9-10H2