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SMILES: n1(c2c(c(c1)Br)cccn2)C(=O)OC(C)(C)C Canonical SMILES: Brc1cn(c2c1cccn2)C(=O)OC(C)(C)C InChI: InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-7-9(13)8-5-4-6-14-10(8)15/h4-7H,1-3H3 InChIKey: LRMPSYYFDWATPN-UHFFFAOYSA-N
CBID:43726 http://www.chembase.cn/molecule-43726.html