2-[4-bromanyl-2-(trifluoromethyl)phenyl]-3-ethyl-5-oxidanylidene-pyridazine-4-carboxylic acid

Systemtic Name: 2-[4-bromanyl-2-(trifluoromethyl)phenyl]-3-ethyl-5-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 2-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethyl-5-oxo-pyridazine-4-carboxylic acid CAS Name: 2-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethyl-5-oxo-4-pyridazinecarboxylic acid IUPAC Name: 2-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethyl-5-oxopyridazine-4-carboxylic acid Traditional Name: 2-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethyl-5-keto-pyridazine-4-carboxylic acid Formula: C14H10BrF3N2O3 MolecularWeight: 391.14001

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=NN1C2=C(C=C(C=C2)Br)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=C(C(=O)C=NN1C2=C(C=C(C=C2)Br)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H10BrF3N2O3/c1-2-9-12(13(22)23)11(21)6-19-20(9)10-4-3-7(15)5-8(10)14(16,17)18/h3-6H,2H2,1H3,(H,22,23)