2-methoxy-1-methyl-4-oxidanylidene-cyclohexa-2,5-diene-1-carbonitrile

Systemtic Name: 2-methoxy-1-methyl-4-oxidanylidene-cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 2-methoxy-1-methyl-4-oxo-cyclohexa-2,5-diene-1-carbonitrile CAS Name: 2-methoxy-1-methyl-4-oxo-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 2-methoxy-1-methyl-4-oxocyclohexa-2,5-diene-1-carbonitrile Traditional Name: 4-keto-2-methoxy-1-methyl-cyclohexa-2,5-diene-1-carbonitrile Formula: C9H9NO2 MolecularWeight: 163.17326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=O)C=C1OC)C#N

Isomeric SMILES

CC1(C=CC(=O)C=C1OC)C#N

InChI

InChI=1S/C9H9NO2/c1-9(6-10)4-3-7(11)5-8(9)12-2/h3-5H,1-2H3