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

Systemtic Name: 2-[(4-ethynyl-2-methyl-phenyl)amino]-3,4-bis(fluoranyl)benzoic acid Openeye Name: 2-(4-ethynyl-2-methyl-anilino)-3,4-difluoro-benzoic acid CAS Name: 2-(4-ethynyl-2-methylanilino)-3,4-difluorobenzoic acid IUPAC Name: 2-(4-ethynyl-2-methylanilino)-3,4-difluorobenzoic acid Traditional Name: 2-(4-ethynyl-2-methyl-anilino)-3,4-difluoro-benzoic acid Formula: C16H11F2NO2 MolecularWeight: 287.260846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F2NO2/c1-3-10-4-7-13(9(2)8-10)19-15-11(16(20)21)5-6-12(17)14(15)18/h1,4-8,19H,2H3,(H,20,21)