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

Systemtic Name: 5-bromanyl-2-[(4-ethynyl-2-methyl-phenyl)amino]-3,4-bis(fluoranyl)benzoic acid Openeye Name: 5-bromo-2-(4-ethynyl-2-methyl-anilino)-3,4-difluoro-benzoic acid CAS Name: 5-bromo-2-(4-ethynyl-2-methylanilino)-3,4-difluorobenzoic acid IUPAC Name: 5-bromo-2-(4-ethynyl-2-methylanilino)-3,4-difluorobenzoic acid Traditional Name: 5-bromo-2-(4-ethynyl-2-methyl-anilino)-3,4-difluoro-benzoic acid Formula: C16H10BrF2NO2 MolecularWeight: 366.156906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrF2NO2/c1-3-9-4-5-12(8(2)6-9)20-15-10(16(21)22)7-11(17)13(18)14(15)19/h1,4-7,20H,2H3,(H,21,22)