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

Systemtic Name: 6-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxylic acid Openeye Name: 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxylic acid CAS Name: 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxylic acid IUPAC Name: 6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxylic acid Traditional Name: 6-keto-1-[3-(trifluoromethyl)benzyl]-4,5-dihydropyridazine-3-carboxylic acid Formula: C13H11F3N2O3 MolecularWeight: 300.23325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F3N2O3/c14-13(15,16)9-3-1-2-8(6-9)7-18-11(19)5-4-10(17-18)12(20)21/h1-3,6H,4-5,7H2,(H,20,21)