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

Systemtic Name: 5-bromanyl-2-[(2-chloranyl-4-ethynyl-phenyl)amino]-3,4-bis(fluoranyl)benzoic acid Openeye Name: 5-bromo-2-(2-chloro-4-ethynyl-anilino)-3,4-difluoro-benzoic acid CAS Name: 5-bromo-2-(2-chloro-4-ethynylanilino)-3,4-difluorobenzoic acid IUPAC Name: 5-bromo-2-(2-chloro-4-ethynylanilino)-3,4-difluorobenzoic acid Traditional Name: 5-bromo-2-(2-chloro-4-ethynyl-anilino)-3,4-difluoro-benzoic acid Formula: C15H7BrClF2NO2 MolecularWeight: 386.575386

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)NC2=C(C(=C(C=C2C(=O)O)Br)F)F)Cl

Isomeric SMILES

C#CC1=CC(=C(C=C1)NC2=C(C(=C(C=C2C(=O)O)Br)F)F)Cl

InChI

InChI=1S/C15H7BrClF2NO2/c1-2-7-3-4-11(10(17)5-7)20-14-8(15(21)22)6-9(16)12(18)13(14)19/h1,3-6,20H,(H,21,22)