methyl 1-[2,5-bis(fluoranyl)phenyl]-4-bromanyl-5-(4-fluorophenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-[2,5-bis(fluoranyl)phenyl]-4-bromanyl-5-(4-fluorophenyl)pyrazole-3-carboxylate Openeye Name: methyl 4-bromo-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate CAS Name: 4-bromo-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate Traditional Name: 4-bromo-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid methyl ester Formula: C17H10BrF3N2O2 MolecularWeight: 411.17271

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1Br)C2=CC=C(C=C2)F)C3=C(C=CC(=C3)F)F

Isomeric SMILES

COC(=O)C1=NN(C(=C1Br)C2=CC=C(C=C2)F)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C17H10BrF3N2O2/c1-25-17(24)15-14(18)16(9-2-4-10(19)5-3-9)23(22-15)13-8-11(20)6-7-12(13)21/h2-8H,1H3