1-[4-bromanyl-2-(trifluoromethyl)phenyl]-6-ethyl-4-oxidanylidene-pyridazine-3,5-dicarboxylic acid

Systemtic Name: 1-[4-bromanyl-2-(trifluoromethyl)phenyl]-6-ethyl-4-oxidanylidene-pyridazine-3,5-dicarboxylic acid Openeye Name: 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-ethyl-4-oxo-pyridazine-3,5-dicarboxylic acid CAS Name: 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-ethyl-4-oxopyridazine-3,5-dicarboxylic acid IUPAC Name: 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-ethyl-4-oxopyridazine-3,5-dicarboxylic acid Traditional Name: 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-ethyl-4-keto-pyridazine-3,5-dicarboxylic acid Formula: C15H10BrF3N2O5 MolecularWeight: 435.14951

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H10BrF3N2O5/c1-2-8-10(13(23)24)12(22)11(14(25)26)20-21(8)9-4-3-6(16)5-7(9)15(17,18)19/h3-5H,2H2,1H3,(H,23,24)(H,25,26)