3-(4-methyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanenitrile

Systemtic Name: 3-(4-methyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanenitrile Openeye Name: 3-(2-hydroxy-4-methyl-6-oxo-cyclohexen-1-yl)propanenitrile CAS Name: 3-(2-hydroxy-4-methyl-6-oxo-1-cyclohexenyl)propanenitrile IUPAC Name: 3-(2-hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile Traditional Name: 3-(2-hydroxy-6-keto-4-methyl-cyclohexen-1-yl)propionitrile Formula: C10H13NO2 MolecularWeight: 179.21572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C(C(=O)C1)CCC#N)O

Isomeric SMILES

CC1CC(=C(C(=O)C1)CCC#N)O

InChI

InChI=1S/C10H13NO2/c1-7-5-9(12)8(3-2-4-11)10(13)6-7/h7,12H,2-3,5-6H2,1H3