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SMILES: n1(ncc(c1)Br)C(C(=O)O)C Canonical SMILES: CC(n1cc(cn1)Br)C(=O)O InChI: InChI=1S/C6H7BrN2O2/c1-4(6(10)11)9-3-5(7)2-8-9/h2-4H,1H3,(H,10,11) InChIKey: QJDBHMKKZWMMJU-UHFFFAOYSA-N
CBID:28342 http://www.chembase.cn/molecule-28342.html