[4,5-bis(bromanyl)-6-oxidanylidene-pyridazin-1-yl]methyl 3-(trifluoromethyl)benzoate

Systemtic Name: [4,5-bis(bromanyl)-6-oxidanylidene-pyridazin-1-yl]methyl 3-(trifluoromethyl)benzoate Openeye Name: (4,5-dibromo-6-oxo-pyridazin-1-yl)methyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid (4,5-dibromo-6-oxo-1-pyridazinyl)methyl ester IUPAC Name: (4,5-dibromo-6-oxopyridazin-1-yl)methyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid (4,5-dibromo-6-keto-pyridazin-1-yl)methyl ester Formula: C13H7Br2F3N2O3 MolecularWeight: 456.00949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCN2C(=O)C(=C(C=N2)Br)Br

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCN2C(=O)C(=C(C=N2)Br)Br

InChI

InChI=1S/C13H7Br2F3N2O3/c14-9-5-19-20(11(21)10(9)15)6-23-12(22)7-2-1-3-8(4-7)13(16,17)18/h1-5H,6H2