5-acetamido-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid

Systemtic Name: 5-acetamido-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid Openeye Name: 5-acetamido-2-(3,3,3-trifluoropropanoylamino)benzoic acid CAS Name: 5-acetamido-2-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoic acid IUPAC Name: 5-acetamido-2-(3,3,3-trifluoropropanoylamino)benzoic acid Traditional Name: 5-acetamido-2-(3,3,3-trifluoropropanoylamino)benzoic acid Formula: C12H11F3N2O4 MolecularWeight: 304.22195

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)CC(F)(F)F)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)CC(F)(F)F)C(=O)O

InChI

InChI=1S/C12H11F3N2O4/c1-6(18)16-7-2-3-9(8(4-7)11(20)21)17-10(19)5-12(13,14)15/h2-4H,5H2,1H3,(H,16,18)(H,17,19)(H,20,21)