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SMILES: O1CC(CC1)(C#N)c1ccc(cc1)Br Canonical SMILES: N#CC1(COCC1)c1ccc(cc1)Br InChI: InChI=1S/C11H10BrNO/c12-10-3-1-9(2-4-10)11(7-13)5-6-14-8-11/h1-4H,5-6,8H2 InChIKey: PMJHKEFOYTXRNF-UHFFFAOYSA-N
CBID:798815 http://www.chembase.cn/molecule-798815.html