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

Systemtic Name: 5-chloranyl-2-methoxy-4-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-(3,3,3-trifluoropropanoylamino)benzoic acid CAS Name: 5-chloro-2-methoxy-4-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-(3,3,3-trifluoropropanoylamino)benzoic acid Traditional Name: 5-chloro-2-methoxy-4-(3,3,3-trifluoropropanoylamino)benzoic acid Formula: C11H9ClF3NO4 MolecularWeight: 311.64167

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CC(F)(F)F

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CC(F)(F)F

InChI

InChI=1S/C11H9ClF3NO4/c1-20-8-3-7(6(12)2-5(8)10(18)19)16-9(17)4-11(13,14)15/h2-3H,4H2,1H3,(H,16,17)(H,18,19)