3-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenecarbonitrile

Systemtic Name: 3-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzenecarbonitrile Openeye Name: 3-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzonitrile CAS Name: 3-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzonitrile IUPAC Name: 3-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzonitrile Traditional Name: 3-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)benzonitrile Formula: C16H13N2O+ MolecularWeight: 249.28722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC[N+](=C2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=CC2=C1OC[N+](=C2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H13N2O/c1-12-4-2-6-14-10-18(11-19-16(12)14)15-7-3-5-13(8-15)9-17/h2-8,10H,11H2,1H3/q+1