5-bromanyl-2-(butylamino)-3-fluoranyl-benzoic acid

Systemtic Name: 5-bromanyl-2-(butylamino)-3-fluoranyl-benzoic acid Openeye Name: 5-bromo-2-(butylamino)-3-fluoro-benzoic acid CAS Name: 5-bromo-2-(butylamino)-3-fluorobenzoic acid IUPAC Name: 5-bromo-2-(butylamino)-3-fluorobenzoic acid Traditional Name: 5-bromo-2-(butylamino)-3-fluoro-benzoic acid Formula: C11H13BrFNO2 MolecularWeight: 290.128823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1C(=O)O)Br)F

Isomeric SMILES

CCCCNC1=C(C=C(C=C1C(=O)O)Br)F

InChI

InChI=1S/C11H13BrFNO2/c1-2-3-4-14-10-8(11(15)16)5-7(12)6-9(10)13/h5-6,14H,2-4H2,1H3,(H,15,16)