5-(butylamino)-2,4-bis(fluoranyl)benzoic acid

Systemtic Name: 5-(butylamino)-2,4-bis(fluoranyl)benzoic acid Openeye Name: 5-(butylamino)-2,4-difluoro-benzoic acid CAS Name: 5-(butylamino)-2,4-difluorobenzoic acid IUPAC Name: 5-(butylamino)-2,4-difluorobenzoic acid Traditional Name: 5-(butylamino)-2,4-difluoro-benzoic acid Formula: C11H13F2NO2 MolecularWeight: 229.223226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C(=C1)C(=O)O)F)F

Isomeric SMILES

CCCCNC1=C(C=C(C(=C1)C(=O)O)F)F

InChI

InChI=1S/C11H13F2NO2/c1-2-3-4-14-10-5-7(11(15)16)8(12)6-9(10)13/h5-6,14H,2-4H2,1H3,(H,15,16)