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

Systemtic Name: 5-[(3-bromanyl-4-fluoranyl-phenyl)methylamino]-2,4-bis(fluoranyl)benzoic acid Openeye Name: 5-[(3-bromo-4-fluoro-phenyl)methylamino]-2,4-difluoro-benzoic acid CAS Name: 5-[(3-bromo-4-fluorophenyl)methylamino]-2,4-difluorobenzoic acid IUPAC Name: 5-[(3-bromo-4-fluorophenyl)methylamino]-2,4-difluorobenzoic acid Traditional Name: 5-[(3-bromo-4-fluoro-benzyl)amino]-2,4-difluoro-benzoic acid Formula: C14H9BrF3NO2 MolecularWeight: 360.12597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=C(C=C(C(=C2)C(=O)O)F)F)Br)F

Isomeric SMILES

C1=CC(=C(C=C1CNC2=C(C=C(C(=C2)C(=O)O)F)F)Br)F

InChI

InChI=1S/C14H9BrF3NO2/c15-9-3-7(1-2-10(9)16)6-19-13-4-8(14(20)21)11(17)5-12(13)18/h1-5,19H,6H2,(H,20,21)