1-[4-bromanyl-6-(trifluoromethyloxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[4-bromanyl-6-(trifluoromethyloxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[4-bromo-6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 1-[4-bromo-6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-bromo-6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[4-bromo-6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Formula: C12H6BrF3N4O3 MolecularWeight: 391.10025

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1Br)N=C(N2)N3C=C(C=N3)C(=O)O)OC(F)(F)F

Isomeric SMILES

C1=C(C=C2C(=C1Br)N=C(N2)N3C=C(C=N3)C(=O)O)OC(F)(F)F

InChI

InChI=1S/C12H6BrF3N4O3/c13-7-1-6(23-12(14,15)16)2-8-9(7)19-11(18-8)20-4-5(3-17-20)10(21)22/h1-4H,(H,18,19)(H,21,22)