3,3-dimethoxy-4-oxidanylidene-cyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: 3,3-dimethoxy-4-oxidanylidene-cyclohexa-1,5-diene-1-carbonitrile Openeye Name: 3,3-dimethoxy-4-oxo-cyclohexa-1,5-diene-1-carbonitrile CAS Name: 3,3-dimethoxy-4-oxo-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: 3,3-dimethoxy-4-oxocyclohexa-1,5-diene-1-carbonitrile Traditional Name: 4-keto-3,3-dimethoxy-cyclohexa-1,5-diene-1-carbonitrile Formula: C9H9NO3 MolecularWeight: 179.17266

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=C(C=CC1=O)C#N)OC

Isomeric SMILES

COC1(C=C(C=CC1=O)C#N)OC

InChI

InChI=1S/C9H9NO3/c1-12-9(13-2)5-7(6-10)3-4-8(9)11/h3-5H,1-2H3