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

Systemtic Name: 4-[[[5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxidanylidene-pyridazin-3-yl]carbonylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[[[5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-pyridazine-3-carbonyl]hydrazono]methyl]benzoic acid CAS Name: 4-[[[[5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-3-pyridazinyl]-oxomethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[[[5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbonyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[[[5-cyano-1-(4-fluorophenyl)-6-keto-4-methyl-pyridazine-3-carbonyl]hydrazono]methyl]benzoic acid Formula: C21H14FN5O4 MolecularWeight: 419.365363

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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)F)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)F)C#N

InChI

InChI=1S/C21H14FN5O4/c1-12-17(10-23)20(29)27(16-8-6-15(22)7-9-16)26-18(12)19(28)25-24-11-13-2-4-14(5-3-13)21(30)31/h2-9,11H,1H3,(H,25,28)(H,30,31)