4-[[2,2,2-tris(fluoranyl)ethoxycarbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[2,2,2-tris(fluoranyl)ethoxycarbonylamino]methyl]benzoic acid Openeye Name: 4-[(2,2,2-trifluoroethoxycarbonylamino)methyl]benzoic acid CAS Name: 4-[[[oxo(2,2,2-trifluoroethoxy)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[(2,2,2-trifluoroethoxycarbonylamino)methyl]benzoic acid Traditional Name: 4-[(2,2,2-trifluoroethoxycarbonylamino)methyl]benzoic acid Formula: C11H10F3NO4 MolecularWeight: 277.19661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)OCC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)OCC(F)(F)F)C(=O)O

InChI

InChI=1S/C11H10F3NO4/c12-11(13,14)6-19-10(18)15-5-7-1-3-8(4-2-7)9(16)17/h1-4H,5-6H2,(H,15,18)(H,16,17)