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

Systemtic Name: 2-[(4-bromanyl-2-methyl-phenyl)amino]-3,4-bis(fluoranyl)benzoic acid Openeye Name: 2-(4-bromo-2-methyl-anilino)-3,4-difluoro-benzoic acid CAS Name: 2-(4-bromo-2-methylanilino)-3,4-difluorobenzoic acid IUPAC Name: 2-(4-bromo-2-methylanilino)-3,4-difluorobenzoic acid Traditional Name: 2-(4-bromo-2-methyl-anilino)-3,4-difluoro-benzoic acid Formula: C14H10BrF2NO2 MolecularWeight: 342.135506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrF2NO2/c1-7-6-8(15)2-5-11(7)18-13-9(14(19)20)3-4-10(16)12(13)17/h2-6,18H,1H3,(H,19,20)