4-chloranyl-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid Openeye Name: 4-chloro-2-(3,3,3-trifluoropropanoylamino)benzoic acid CAS Name: 4-chloro-2-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoic acid IUPAC Name: 4-chloro-2-(3,3,3-trifluoropropanoylamino)benzoic acid Traditional Name: 4-chloro-2-(3,3,3-trifluoropropanoylamino)benzoic acid Formula: C10H7ClF3NO3 MolecularWeight: 281.61569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)CC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)CC(F)(F)F)C(=O)O

InChI

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