6-[2-cyanoethyl(methyl)amino]-5-oxidanylidene-cyclohepta-1,3,6-triene-1-carbonitrile

Systemtic Name: 6-[2-cyanoethyl(methyl)amino]-5-oxidanylidene-cyclohepta-1,3,6-triene-1-carbonitrile Openeye Name: 6-[2-cyanoethyl(methyl)amino]-5-oxo-cyclohepta-1,3,6-triene-1-carbonitrile CAS Name: 6-[2-cyanoethyl(methyl)amino]-5-oxo-1-cyclohepta-1,3,6-trienecarbonitrile IUPAC Name: 6-[2-cyanoethyl(methyl)amino]-5-oxocyclohepta-1,3,6-triene-1-carbonitrile Traditional Name: 6-[2-cyanoethyl(methyl)amino]-5-keto-cyclohepta-1,3,6-triene-1-carbonitrile Formula: C12H11N3O MolecularWeight: 213.23524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O/c1-15(7-3-6-13)11-8-10(9-14)4-2-5-12(11)16/h2,4-5,8H,3,7H2,1H3