3-[3-(2-cyanoethyl)-6,6-dimethyl-4-oxidanylidene-oxan-3-yl]propanenitrile

Systemtic Name: 3-[3-(2-cyanoethyl)-6,6-dimethyl-4-oxidanylidene-oxan-3-yl]propanenitrile Openeye Name: 3-[3-(2-cyanoethyl)-6,6-dimethyl-4-oxo-tetrahydropyran-3-yl]propanenitrile CAS Name: 3-[3-(2-cyanoethyl)-6,6-dimethyl-4-oxo-3-oxanyl]propanenitrile IUPAC Name: 3-[3-(2-cyanoethyl)-6,6-dimethyl-4-oxooxan-3-yl]propanenitrile Traditional Name: 3-[3-(2-cyanoethyl)-4-keto-6,6-dimethyl-tetrahydropyran-3-yl]propionitrile Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(CO1)(CCC#N)CCC#N)C

Isomeric SMILES

CC1(CC(=O)C(CO1)(CCC#N)CCC#N)C

InChI

InChI=1S/C13H18N2O2/c1-12(2)9-11(16)13(10-17-12,5-3-7-14)6-4-8-15/h3-6,9-10H2,1-2H3