4-[[[5-cyano-4-methyl-1-(2-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]carbonylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[[[5-cyano-4-methyl-1-(2-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]carbonylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[[[5-cyano-4-methyl-1-(o-tolyl)-6-oxo-pyridazine-3-carbonyl]hydrazono]methyl]benzoic acid CAS Name: 4-[[[[5-cyano-4-methyl-1-(2-methylphenyl)-6-oxo-3-pyridazinyl]-oxomethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[[[5-cyano-4-methyl-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[[[5-cyano-6-keto-4-methyl-1-(o-tolyl)pyridazine-3-carbonyl]hydrazono]methyl]benzoic acid Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=C(C(=N2)C(=O)NN=CC3=CC=C(C=C3)C(=O)O)C)C#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=C(C(=N2)C(=O)NN=CC3=CC=C(C=C3)C(=O)O)C)C#N

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/h3-10,12H,1-2H3,(H,25,28)(H,30,31)