2-bromanyl-3-[2,2,2-tris(fluoranyl)ethoxycarbonylamino]propanoic acid

Systemtic Name: 2-bromanyl-3-[2,2,2-tris(fluoranyl)ethoxycarbonylamino]propanoic acid Openeye Name: 2-bromo-3-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid CAS Name: 2-bromo-3-[[oxo(2,2,2-trifluoroethoxy)methyl]amino]propanoic acid IUPAC Name: 2-bromo-3-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid Traditional Name: 2-bromo-3-(2,2,2-trifluoroethoxycarbonylamino)propionic acid Formula: C6H7BrF3NO4 MolecularWeight: 294.02329

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)Br)NC(=O)OCC(F)(F)F

Isomeric SMILES

C(C(C(=O)O)Br)NC(=O)OCC(F)(F)F

InChI

InChI=1S/C6H7BrF3NO4/c7-3(4(12)13)1-11-5(14)15-2-6(8,9)10/h3H,1-2H2,(H,11,14)(H,12,13)