methyl 4-[(E)-3-imidazol-1-ylprop-1-enyl]-2-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: methyl 4-[(E)-3-imidazol-1-ylprop-1-enyl]-2-(trifluoromethylsulfonyloxy)benzoate Openeye Name: methyl 4-[(E)-3-imidazol-1-ylprop-1-enyl]-2-(trifluoromethylsulfonyloxy)benzoate CAS Name: 4-[(E)-3-(1-imidazolyl)prop-1-enyl]-2-(trifluoromethylsulfonyloxy)benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-imidazol-1-ylprop-1-enyl]-2-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 4-[(E)-3-imidazol-1-ylprop-1-enyl]-2-triflyloxy-benzoic acid methyl ester Formula: C15H13F3N2O5S MolecularWeight: 390.33433

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C=CCN2C=CN=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)/C=C/CN2C=CN=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H13F3N2O5S/c1-24-14(21)12-5-4-11(3-2-7-20-8-6-19-10-20)9-13(12)25-26(22,23)15(16,17)18/h2-6,8-10H,7H2,1H3/b3-2+