5-cyano-4-methyl-6-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid

Systemtic Name: 5-cyano-4-methyl-6-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid Openeye Name: 5-cyano-4-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid CAS Name: 5-cyano-4-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid IUPAC Name: 5-cyano-4-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid Traditional Name: 5-cyano-6-keto-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid Formula: C14H8F3N3O3 MolecularWeight: 323.22683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C(=O)O)C2=CC=CC(=C2)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C(=O)O)C2=CC=CC(=C2)C(F)(F)F)C#N

InChI

InChI=1S/C14H8F3N3O3/c1-7-10(6-18)12(21)20(19-11(7)13(22)23)9-4-2-3-8(5-9)14(15,16)17/h2-5H,1H3,(H,22,23)