4-[(Z)-[[4-cyano-5-methyl-2-(2-methylphenyl)-3-oxidanylidene-4H-pyridazin-2-ium-6-yl]carbonylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(Z)-[[4-cyano-5-methyl-2-(2-methylphenyl)-3-oxidanylidene-4H-pyridazin-2-ium-6-yl]carbonylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-[[4-cyano-5-methyl-2-(o-tolyl)-3-oxo-4H-pyridazin-2-ium-6-carbonyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(Z)-[[[4-cyano-5-methyl-2-(2-methylphenyl)-3-oxo-4H-pyridazin-2-ium-6-yl]-oxomethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-[[4-cyano-5-methyl-2-(2-methylphenyl)-3-oxo-4H-pyridazin-2-ium-6-carbonyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(Z)-[[4-cyano-3-keto-5-methyl-2-(o-tolyl)-4H-pyridazin-2-ium-6-carbonyl]hydrazono]methyl]benzoic acid Formula: C22H18N5O4+ MolecularWeight: 416.40942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2=NC(=C(C(C2=O)C#N)C)C(=O)NN=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1[N+]2=NC(=C(C(C2=O)C#N)C)C(=O)N/N=C\C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H17N5O4/c1-13-5-3-4-6-18(13)27-21(29)17(11-23)14(2)19(26-27)20(28)25-24-12-15-7-9-16(10-8-15)22(30)31/h3-10,12,17H,1-2H3,(H-,25,28,30,31)/p+1/b24-12-