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

Systemtic Name: 3-chloranyl-4-[2-[2,2,2-tris(fluoranyl)ethanoylamino]propoxy]benzoic acid Openeye Name: 3-chloro-4-[2-[(2,2,2-trifluoroacetyl)amino]propoxy]benzoic acid CAS Name: 3-chloro-4-[2-[(2,2,2-trifluoro-1-oxoethyl)amino]propoxy]benzoic acid IUPAC Name: 3-chloro-4-[2-[(2,2,2-trifluoroacetyl)amino]propoxy]benzoic acid Traditional Name: 3-chloro-4-[2-[(2,2,2-trifluoroacetyl)amino]propoxy]benzoic acid Formula: C12H11ClF3NO4 MolecularWeight: 325.66825

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=C(C=C1)C(=O)O)Cl)NC(=O)C(F)(F)F

Isomeric SMILES

CC(COC1=C(C=C(C=C1)C(=O)O)Cl)NC(=O)C(F)(F)F

InChI

InChI=1S/C12H11ClF3NO4/c1-6(17-11(20)12(14,15)16)5-21-9-3-2-7(10(18)19)4-8(9)13/h2-4,6H,5H2,1H3,(H,17,20)(H,18,19)