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SMILES: n1(ncc(c1C)Br)CC(=O)O Canonical SMILES: Cc1c(Br)cnn1CC(=O)O InChI: InChI=1S/C6H7BrN2O2/c1-4-5(7)2-8-9(4)3-6(10)11/h2H,3H2,1H3,(H,10,11) InChIKey: FQEKYGLAIHOXBZ-UHFFFAOYSA-N
CBID:278216 http://www.chembase.cn/molecule-278216.html