4-[[3,3,3-tris(fluoranyl)propanoylamino]methyl]benzoate

Systemtic Name: 4-[[3,3,3-tris(fluoranyl)propanoylamino]methyl]benzoate Openeye Name: 4-[(3,3,3-trifluoropropanoylamino)methyl]benzoate CAS Name: 4-[[(3,3,3-trifluoro-1-oxopropyl)amino]methyl]benzoate IUPAC Name: 4-[(3,3,3-trifluoropropanoylamino)methyl]benzoate Traditional Name: 4-[(3,3,3-trifluoropropanoylamino)methyl]benzoate Formula: C11H9F3NO3- MolecularWeight: 260.18927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CC(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CC(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C11H10F3NO3/c12-11(13,14)5-9(16)15-6-7-1-3-8(4-2-7)10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)/p-1