3-but-3-enyl-3-methyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carbonitrile

Systemtic Name: 3-but-3-enyl-3-methyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carbonitrile Openeye Name: 3-but-3-enyl-3-methyl-6-oxo-cyclohexa-1,4-diene-1-carbonitrile CAS Name: 3-but-3-enyl-3-methyl-6-oxo-1-cyclohexa-1,4-dienecarbonitrile IUPAC Name: 3-but-3-enyl-3-methyl-6-oxocyclohexa-1,4-diene-1-carbonitrile Traditional Name: 3-but-3-enyl-6-keto-3-methyl-cyclohexa-1,4-diene-1-carbonitrile Formula: C12H13NO MolecularWeight: 187.23772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-3-4-6-12(2)7-5-11(14)10(8-12)9-13/h3,5,7-8H,1,4,6H2,2H3