dimethyl 2-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-3,4-dicarboxylate Openeye Name: dimethyl 2-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-3,4-dicarboxylate CAS Name: 2-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-3,4-dicarboxylate Traditional Name: 2-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-3,4-dicarboxylic acid dimethyl ester Formula: C14H10BrF3N2O4 MolecularWeight: 407.13941

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C14H10BrF3N2O4/c1-23-12(21)9-10(13(22)24-2)20(19-11(9)14(16,17)18)8-5-3-7(15)4-6-8/h3-6H,1-2H3