ethyl 5-bromanyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-bromanyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-bromo-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-bromo-1-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-bromo-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C13H10BrF3N2O2 MolecularWeight: 363.12991

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C(F)(F)F)Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C(F)(F)F)Br

InChI

InChI=1S/C13H10BrF3N2O2/c1-2-21-12(20)10-7-18-19(11(10)14)9-5-3-4-8(6-9)13(15,16)17/h3-7H,2H2,1H3