3-[(2S,3R)-2,3-dimethyl-6-oxidanylidene-oxan-2-yl]benzenecarbonitrile

Systemtic Name: 3-[(2S,3R)-2,3-dimethyl-6-oxidanylidene-oxan-2-yl]benzenecarbonitrile Openeye Name: 3-[(2S,3R)-2,3-dimethyl-6-oxo-tetrahydropyran-2-yl]benzonitrile CAS Name: 3-[(2S,3R)-2,3-dimethyl-6-oxo-2-oxanyl]benzonitrile IUPAC Name: 3-[(2S,3R)-2,3-dimethyl-6-oxooxan-2-yl]benzonitrile Traditional Name: 3-[(2S,3R)-6-keto-2,3-dimethyl-tetrahydropyran-2-yl]benzonitrile Formula: C14H15NO2 MolecularWeight: 229.2744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)OC1(C)C2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@@H]1CCC(=O)O[C@]1(C)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H15NO2/c1-10-6-7-13(16)17-14(10,2)12-5-3-4-11(8-12)9-15/h3-5,8,10H,6-7H2,1-2H3/t10-,14+/m1/s1