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

Systemtic Name: 4-chloranyl-3-[3,3,3-tris(fluoranyl)propanoylamino]benzoate Openeye Name: 4-chloro-3-(3,3,3-trifluoropropanoylamino)benzoate CAS Name: 4-chloro-3-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoate IUPAC Name: 4-chloro-3-(3,3,3-trifluoropropanoylamino)benzoate Traditional Name: 4-chloro-3-(3,3,3-trifluoropropanoylamino)benzoate Formula: C10H6ClF3NO3- MolecularWeight: 280.60775

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])NC(=O)CC(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])NC(=O)CC(F)(F)F)Cl

InChI

InChI=1S/C10H7ClF3NO3/c11-6-2-1-5(9(17)18)3-7(6)15-8(16)4-10(12,13)14/h1-3H,4H2,(H,15,16)(H,17,18)/p-1