ethyl 4-bromanyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate CAS Name: 4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate Traditional Name: 4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C7H6BrF3N2O2 MolecularWeight: 287.03395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1Br)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NNC(=C1Br)C(F)(F)F

InChI

InChI=1S/C7H6BrF3N2O2/c1-2-15-6(14)4-3(8)5(13-12-4)7(9,10)11/h2H2,1H3,(H,12,13)