2-[(3,3-dimethyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)-oxidanyl-methyl]prop-2-enenitrile

Systemtic Name: 2-[(3,3-dimethyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)-oxidanyl-methyl]prop-2-enenitrile Openeye Name: 2-[(3,3-dimethyl-6-oxo-cyclohexa-1,4-dien-1-yl)-hydroxy-methyl]prop-2-enenitrile CAS Name: 2-[(3,3-dimethyl-6-oxo-1-cyclohexa-1,4-dienyl)-hydroxymethyl]-2-propenenitrile IUPAC Name: 2-[(3,3-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)-hydroxymethyl]prop-2-enenitrile Traditional Name: 2-[hydroxy-(6-keto-3,3-dimethyl-cyclohexa-1,4-dien-1-yl)methyl]acrylonitrile Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=O)C(=C1)C(C(=C)C#N)O)C

Isomeric SMILES

CC1(C=CC(=O)C(=C1)C(C(=C)C#N)O)C

InChI

InChI=1S/C12H13NO2/c1-8(7-13)11(15)9-6-12(2,3)5-4-10(9)14/h4-6,11,15H,1H2,2-3H3