methyl 4,5-bis(4-methylphenyl)-3,6-bis(oxidanylidene)pyridazin-1-ium-1-carboxylate

Systemtic Name: methyl 4,5-bis(4-methylphenyl)-3,6-bis(oxidanylidene)pyridazin-1-ium-1-carboxylate Openeye Name: methyl 3,6-dioxo-4,5-bis(p-tolyl)pyridazin-1-ium-1-carboxylate CAS Name: 4,5-bis(4-methylphenyl)-3,6-dioxo-1-pyridazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4,5-bis(4-methylphenyl)-3,6-dioxopyridazin-1-ium-1-carboxylate Traditional Name: 3,6-diketo-4,5-bis(p-tolyl)pyridazin-1-ium-1-carboxylic acid methyl ester Formula: C20H17N2O4+ MolecularWeight: 349.35998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)[N+](=NC2=O)C(=O)OC)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)[N+](=NC2=O)C(=O)OC)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H17N2O4/c1-12-4-8-14(9-5-12)16-17(15-10-6-13(2)7-11-15)19(24)22(20(25)26-3)21-18(16)23/h4-11H,1-3H3/q+1