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

Systemtic Name: 2-[(2-chloranyl-4-ethynyl-phenyl)amino]-3,4-bis(fluoranyl)benzoic acid Openeye Name: 2-(2-chloro-4-ethynyl-anilino)-3,4-difluoro-benzoic acid CAS Name: 2-(2-chloro-4-ethynylanilino)-3,4-difluorobenzoic acid IUPAC Name: 2-(2-chloro-4-ethynylanilino)-3,4-difluorobenzoic acid Traditional Name: 2-(2-chloro-4-ethynyl-anilino)-3,4-difluoro-benzoic acid Formula: C15H8ClF2NO2 MolecularWeight: 307.679326

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)NC2=C(C=CC(=C2F)F)C(=O)O)Cl

Isomeric SMILES

C#CC1=CC(=C(C=C1)NC2=C(C=CC(=C2F)F)C(=O)O)Cl

InChI

InChI=1S/C15H8ClF2NO2/c1-2-8-3-6-12(10(16)7-8)19-14-9(15(20)21)4-5-11(17)13(14)18/h1,3-7,19H,(H,20,21)