2-(2-methylpropyl)-3-oxidanylidene-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxylic acid

Systemtic Name: 2-(2-methylpropyl)-3-oxidanylidene-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxylic acid Openeye Name: 2-isobutyl-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxylic acid CAS Name: 2-(2-methylpropyl)-3-oxo-6-[4-(trifluoromethyl)phenyl]-4-pyridazinecarboxylic acid IUPAC Name: 2-(2-methylpropyl)-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxylic acid Traditional Name: 2-isobutyl-3-keto-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxylic acid Formula: C16H15F3N2O3 MolecularWeight: 340.29711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H15F3N2O3/c1-9(2)8-21-14(22)12(15(23)24)7-13(20-21)10-3-5-11(6-4-10)16(17,18)19/h3-7,9H,8H2,1-2H3,(H,23,24)