(4-bromophenyl)methyl 4-bromanyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylate

Systemtic Name: (4-bromophenyl)methyl 4-bromanyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylate Openeye Name: (4-bromophenyl)methyl 4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylate CAS Name: 4-bromo-2-methyl-5-(trifluoromethyl)-3-pyrazolecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylate Traditional Name: 4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid (4-bromobenzyl) ester Formula: C13H9Br2F3N2O2 MolecularWeight: 442.02597

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)OCC2=CC=C(C=C2)Br

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)OCC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H9Br2F3N2O2/c1-20-10(9(15)11(19-20)13(16,17)18)12(21)22-6-7-2-4-8(14)5-3-7/h2-5H,6H2,1H3