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SMILES: c1(c(ncc(n1)Br)N)C(=O)O Canonical SMILES: Brc1cnc(c(n1)C(=O)O)N InChI: InChI=1S/C5H4BrN3O2/c6-2-1-8-4(7)3(9-2)5(10)11/h1H,(H2,7,8)(H,10,11) InChIKey: MTNAQEKMSVDTAQ-UHFFFAOYSA-N
CBID:66536 http://www.chembase.cn/molecule-66536.html