methyl 3-(phenylmethoxycarbonylamino)-4-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: methyl 3-(phenylmethoxycarbonylamino)-4-(trifluoromethylsulfonyloxy)benzoate Openeye Name: methyl 3-(benzyloxycarbonylamino)-4-(trifluoromethylsulfonyloxy)benzoate CAS Name: 3-(phenylmethoxycarbonylamino)-4-(trifluoromethylsulfonyloxy)benzoic acid methyl ester IUPAC Name: methyl 3-(phenylmethoxycarbonylamino)-4-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 3-(benzyloxycarbonylamino)-4-triflyloxy-benzoic acid methyl ester Formula: C17H14F3NO7S MolecularWeight: 433.35577

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H14F3NO7S/c1-26-15(22)12-7-8-14(28-29(24,25)17(18,19)20)13(9-12)21-16(23)27-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,21,23)