4-[(5,5-dimethyl-4-oxidanylidene-oxolan-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(5,5-dimethyl-4-oxidanylidene-oxolan-3-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(5,5-dimethyl-4-oxo-tetrahydrofuran-3-yl)methyl]benzonitrile CAS Name: 4-[(5,5-dimethyl-4-oxo-3-oxolanyl)methyl]benzonitrile IUPAC Name: 4-[(5,5-dimethyl-4-oxooxolan-3-yl)methyl]benzonitrile Traditional Name: 4-[(4-keto-5,5-dimethyl-tetrahydrofuran-3-yl)methyl]benzonitrile Formula: C14H15NO2 MolecularWeight: 229.2744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(CO1)CC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1(C(=O)C(CO1)CC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C14H15NO2/c1-14(2)13(16)12(9-17-14)7-10-3-5-11(8-15)6-4-10/h3-6,12H,7,9H2,1-2H3