3-[3,4,4-tris(fluoranyl)but-3-enoylamino]benzoic acid

Systemtic Name: 3-[3,4,4-tris(fluoranyl)but-3-enoylamino]benzoic acid Openeye Name: 3-(3,4,4-trifluorobut-3-enoylamino)benzoic acid CAS Name: 3-[(3,4,4-trifluoro-1-oxobut-3-enyl)amino]benzoic acid IUPAC Name: 3-(3,4,4-trifluorobut-3-enoylamino)benzoic acid Traditional Name: 3-(3,4,4-trifluorobut-3-enoylamino)benzoic acid Formula: C11H8F3NO3 MolecularWeight: 259.18133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8F3NO3/c12-8(10(13)14)5-9(16)15-7-3-1-2-6(4-7)11(17)18/h1-4H,5H2,(H,15,16)(H,17,18)