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SMILES: n1cc(cn2c1c(C(=O)OCC)cn2)Br Canonical SMILES: CCOC(=O)c1cnn2c1ncc(c2)Br InChI: InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-4-12-13-5-6(10)3-11-8(7)13/h3-5H,2H2,1H3 InChIKey: PZZTXIWJXOMKEU-UHFFFAOYSA-N
CBID:88653 http://www.chembase.cn/molecule-88653.html