1-[(5-cyano-2-fluoranyl-phenyl)methyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylic acid

Systemtic Name: 1-[(5-cyano-2-fluoranyl-phenyl)methyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylic acid Openeye Name: 1-[(5-cyano-2-fluoro-phenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid CAS Name: 1-[(5-cyano-2-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid IUPAC Name: 1-[(5-cyano-2-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid Traditional Name: 1-(5-cyano-2-fluoro-benzyl)-6-keto-4,5-dihydropyridazine-3-carboxylic acid Formula: C13H10FN3O3 MolecularWeight: 275.235203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(N=C1C(=O)O)CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

C1CC(=O)N(N=C1C(=O)O)CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C13H10FN3O3/c14-10-2-1-8(6-15)5-9(10)7-17-12(18)4-3-11(16-17)13(19)20/h1-2,5H,3-4,7H2,(H,19,20)