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

Systemtic Name: ethyl 3-(4-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: ethyl 3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid ethyl ester Formula: C13H12BrF3N2O3 MolecularWeight: 381.14519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)(C(F)(F)F)O

InChI

InChI=1S/C13H12BrF3N2O3/c1-2-22-11(20)19-12(21,13(15,16)17)7-10(18-19)8-3-5-9(14)6-4-8/h3-6,21H,2,7H2,1H3