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

Systemtic Name: 5-acetamido-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoate Openeye Name: 5-acetamido-2-(3,3,3-trifluoropropanoylamino)benzoate CAS Name: 5-acetamido-2-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoate IUPAC Name: 5-acetamido-2-(3,3,3-trifluoropropanoylamino)benzoate Traditional Name: 5-acetamido-2-(3,3,3-trifluoropropanoylamino)benzoate Formula: C12H10F3N2O4- MolecularWeight: 303.21401

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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)/p-1