ethyl 3-azanylidene-4-cyano-5-methyl-2-(4-methylphenyl)-4H-pyridazin-2-ium-6-carboxylate

Systemtic Name: ethyl 3-azanylidene-4-cyano-5-methyl-2-(4-methylphenyl)-4H-pyridazin-2-ium-6-carboxylate Openeye Name: ethyl 4-cyano-3-imino-5-methyl-2-(p-tolyl)-4H-pyridazin-2-ium-6-carboxylate CAS Name: 4-cyano-3-imino-5-methyl-2-(4-methylphenyl)-4H-pyridazin-2-ium-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-imino-5-methyl-2-(4-methylphenyl)-4H-pyridazin-2-ium-6-carboxylate Traditional Name: 4-cyano-3-imino-5-methyl-2-(p-tolyl)-4H-pyridazin-2-ium-6-carboxylic acid ethyl ester Formula: C16H17N4O2+ MolecularWeight: 297.33178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(=N)[N+](=N1)C2=CC=C(C=C2)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(C(=N)[N+](=N1)C2=CC=C(C=C2)C)C#N)C

InChI

InChI=1S/C16H17N4O2/c1-4-22-16(21)14-11(3)13(9-17)15(18)20(19-14)12-7-5-10(2)6-8-12/h5-8,13,18H,4H2,1-3H3/q+1