5-ethenyl-2-[(4-ethynyl-2-fluoranyl-phenyl)amino]-3,4-bis(fluoranyl)benzoic acid

Systemtic Name: 5-ethenyl-2-[(4-ethynyl-2-fluoranyl-phenyl)amino]-3,4-bis(fluoranyl)benzoic acid Openeye Name: 2-(4-ethynyl-2-fluoro-anilino)-3,4-difluoro-5-vinyl-benzoic acid CAS Name: 5-ethenyl-2-(4-ethynyl-2-fluoroanilino)-3,4-difluorobenzoic acid IUPAC Name: 5-ethenyl-2-(4-ethynyl-2-fluoroanilino)-3,4-difluorobenzoic acid Traditional Name: 2-(4-ethynyl-2-fluoro-anilino)-3,4-difluoro-5-vinyl-benzoic acid Formula: C17H10F3NO2 MolecularWeight: 317.26201

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(C(=C(C(=C1)C(=O)O)NC2=C(C=C(C=C2)C#C)F)F)F

Isomeric SMILES

C=CC1=C(C(=C(C(=C1)C(=O)O)NC2=C(C=C(C=C2)C#C)F)F)F

InChI

InChI=1S/C17H10F3NO2/c1-3-9-5-6-13(12(18)7-9)21-16-11(17(22)23)8-10(4-2)14(19)15(16)20/h1,4-8,21H,2H2,(H,22,23)