methyl 4-[4-bromanyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-[4-bromanyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-(trifluoromethyl)benzoate Openeye Name: methyl 4-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-(trifluoromethyl)benzoate CAS Name: 4-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-(trifluoromethyl)benzoate Traditional Name: 4-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-(trifluoromethyl)benzoic acid methyl ester Formula: C13H7BrF6N2O2 MolecularWeight: 417.101299

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C2=NC(=C(N2)C(F)(F)F)Br)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2=NC(=C(N2)C(F)(F)F)Br)C(F)(F)F

InChI

InChI=1S/C13H7BrF6N2O2/c1-24-11(23)5-2-3-6(7(4-5)12(15,16)17)10-21-8(9(14)22-10)13(18,19)20/h2-4H,1H3,(H,21,22)