6-isocyano-8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium

Systemtic Name: 6-isocyano-8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium Openeye Name: 6-isocyano-8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium CAS Name: 6-isocyano-8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium IUPAC Name: 6-isocyano-8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium Traditional Name: 6-isocyano-8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium Formula: C16H13N2O+ MolecularWeight: 249.28722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)[N+]#[C-])C=[N+](CO2)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CC(=C1)[N+]#[C-])C=[N+](CO2)C3=CC=CC=C3

InChI

InChI=1S/C16H13N2O/c1-12-8-14(17-2)9-13-10-18(11-19-16(12)13)15-6-4-3-5-7-15/h3-10H,11H2,1H3/q+1