4-bromanyl-5-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-bromanyl-5-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 4-bromo-5-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid CAS Name: 4-bromo-5-ethyl-2-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-5-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 4-bromo-5-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Formula: C13H10BrF3N2O2 MolecularWeight: 363.12991

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1Br)C(=O)O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCC1=NN(C(=C1Br)C(=O)O)C2=CC=C(C=C2)C(F)(F)F

InChI

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