ethyl 4-methyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium-7-carboxylate

Systemtic Name: ethyl 4-methyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium-7-carboxylate Openeye Name: ethyl 4-methyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium-7-carboxylate CAS Name: 4-methyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium-7-carboxylate Traditional Name: 4-methyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium-7-carboxylic acid ethyl ester Formula: C17H18N3O2+ MolecularWeight: 296.34372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=NN(C[N+](=C2C=C1)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=NN(C[N+](=C2C=C1)C)C3=CC=CC=C3

InChI

InChI=1S/C17H18N3O2/c1-3-22-17(21)13-9-10-16-15(11-13)18-20(12-19(16)2)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3/q+1