6,6-dimethyl-3-oxidanylidene-cyclohexa-1,4-diene-1-carbonitrile

Systemtic Name: 6,6-dimethyl-3-oxidanylidene-cyclohexa-1,4-diene-1-carbonitrile Openeye Name: 6,6-dimethyl-3-oxo-cyclohexa-1,4-diene-1-carbonitrile CAS Name: 6,6-dimethyl-3-oxo-1-cyclohexa-1,4-dienecarbonitrile IUPAC Name: 6,6-dimethyl-3-oxocyclohexa-1,4-diene-1-carbonitrile Traditional Name: 3-keto-6,6-dimethyl-cyclohexa-1,4-diene-1-carbonitrile Formula: C9H9NO MolecularWeight: 147.17386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=O)C=C1C#N)C

Isomeric SMILES

CC1(C=CC(=O)C=C1C#N)C

InChI

InChI=1S/C9H9NO/c1-9(2)4-3-8(11)5-7(9)6-10/h3-5H,1-2H3