(1S,2R)-2,5,5-trimethyl-3-oxidanylidene-cycloheptane-1-carbonitrile

Systemtic Name: (1S,2R)-2,5,5-trimethyl-3-oxidanylidene-cycloheptane-1-carbonitrile Openeye Name: (1S,2R)-2,5,5-trimethyl-3-oxo-cycloheptanecarbonitrile CAS Name: (1S,2R)-2,5,5-trimethyl-3-oxo-1-cycloheptanecarbonitrile IUPAC Name: (1S,2R)-2,5,5-trimethyl-3-oxocycloheptane-1-carbonitrile Traditional Name: (1S,2R)-3-keto-2,5,5-trimethyl-cycloheptanecarbonitrile Formula: C11H17NO MolecularWeight: 179.25878

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(CC1=O)(C)C)C#N

Isomeric SMILES

C[C@@H]1[C@H](CCC(CC1=O)(C)C)C#N

InChI

InChI=1S/C11H17NO/c1-8-9(7-12)4-5-11(2,3)6-10(8)13/h8-9H,4-6H2,1-3H3/t8-,9-/m1/s1