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

Systemtic Name: 4-[[[5-cyano-1-(4-methoxyphenyl)-4-methyl-6-oxidanylidene-pyridazin-3-yl]carbonylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[[[5-cyano-1-(4-methoxyphenyl)-4-methyl-6-oxo-pyridazine-3-carbonyl]hydrazono]methyl]benzoic acid CAS Name: 4-[[[[5-cyano-1-(4-methoxyphenyl)-4-methyl-6-oxo-3-pyridazinyl]-oxomethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[[[5-cyano-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carbonyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[[[5-cyano-6-keto-1-(4-methoxyphenyl)-4-methyl-pyridazine-3-carbonyl]hydrazono]methyl]benzoic acid Formula: C22H17N5O5 MolecularWeight: 431.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C(=O)NN=CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C(=O)NN=CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C22H17N5O5/c1-13-18(11-23)21(29)27(16-7-9-17(32-2)10-8-16)26-19(13)20(28)25-24-12-14-3-5-15(6-4-14)22(30)31/h3-10,12H,1-2H3,(H,25,28)(H,30,31)