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

Systemtic Name: 4,5-dimethoxy-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-(3,3,3-trifluoropropanoylamino)benzoic acid CAS Name: 4,5-dimethoxy-2-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-(3,3,3-trifluoropropanoylamino)benzoic acid Traditional Name: 4,5-dimethoxy-2-(3,3,3-trifluoropropanoylamino)benzoic acid Formula: C12H12F3NO5 MolecularWeight: 307.22259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO5/c1-20-8-3-6(11(18)19)7(4-9(8)21-2)16-10(17)5-12(13,14)15/h3-4H,5H2,1-2H3,(H,16,17)(H,18,19)