3-(4-nitrophenyl)-2-(trifluoromethylsulfonylamino)propanoate

Systemtic Name: 3-(4-nitrophenyl)-2-(trifluoromethylsulfonylamino)propanoate Openeye Name: 3-(4-nitrophenyl)-2-(trifluoromethylsulfonylamino)propanoate CAS Name: 3-(4-nitrophenyl)-2-(trifluoromethylsulfonylamino)propanoate IUPAC Name: 3-(4-nitrophenyl)-2-(trifluoromethylsulfonylamino)propanoate Traditional Name: 3-(4-nitrophenyl)-2-(triflylamino)propionate Formula: C10H8F3N2O6S- MolecularWeight: 341.24053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])NS(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)[O-])NS(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H9F3N2O6S/c11-10(12,13)22(20,21)14-8(9(16)17)5-6-1-3-7(4-2-6)15(18)19/h1-4,8,14H,5H2,(H,16,17)/p-1