4-(5-butyl-6-oxidanylidene-oxan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(5-butyl-6-oxidanylidene-oxan-2-yl)benzenecarbonitrile Openeye Name: 4-(5-butyl-6-oxo-tetrahydropyran-2-yl)benzonitrile CAS Name: 4-(5-butyl-6-oxo-2-oxanyl)benzonitrile IUPAC Name: 4-(5-butyl-6-oxooxan-2-yl)benzonitrile Traditional Name: 4-(5-butyl-6-keto-tetrahydropyran-2-yl)benzonitrile Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(OC1=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCC1CCC(OC1=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H19NO2/c1-2-3-4-14-9-10-15(19-16(14)18)13-7-5-12(11-17)6-8-13/h5-8,14-15H,2-4,9-10H2,1H3