6-methyl-4-oxidanylidene-1-[4-(trifluoromethyloxy)phenyl]pyridazine-3-carboxylic acid

Systemtic Name: 6-methyl-4-oxidanylidene-1-[4-(trifluoromethyloxy)phenyl]pyridazine-3-carboxylic acid Openeye Name: 6-methyl-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxylic acid CAS Name: 6-methyl-4-oxo-1-[4-(trifluoromethoxy)phenyl]-3-pyridazinecarboxylic acid IUPAC Name: 6-methyl-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxylic acid Traditional Name: 4-keto-6-methyl-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxylic acid Formula: C13H9F3N2O4 MolecularWeight: 314.21677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)OC(F)(F)F)C(=O)O

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C13H9F3N2O4/c1-7-6-10(19)11(12(20)21)17-18(7)8-2-4-9(5-3-8)22-13(14,15)16/h2-6H,1H3,(H,20,21)