2-(2-methyl-4-oxidanylidene-1H-quinazolin-3-ium-3-yl)benzenecarbonitrile

Systemtic Name: 2-(2-methyl-4-oxidanylidene-1H-quinazolin-3-ium-3-yl)benzenecarbonitrile Openeye Name: 2-(2-methyl-4-oxo-1H-quinazolin-3-ium-3-yl)benzonitrile CAS Name: 2-(2-methyl-4-oxo-1H-quinazolin-3-ium-3-yl)benzonitrile IUPAC Name: 2-(2-methyl-4-oxo-1H-quinazolin-3-ium-3-yl)benzonitrile Traditional Name: 2-(4-keto-2-methyl-1H-quinazolin-3-ium-3-yl)benzonitrile Formula: C16H12N3O+ MolecularWeight: 262.28598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2=CC=CC=C2N1)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=[N+](C(=O)C2=CC=CC=C2N1)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H11N3O/c1-11-18-14-8-4-3-7-13(14)16(20)19(11)15-9-5-2-6-12(15)10-17/h2-9H,1H3/p+1