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SMILES: O1CC(CC1)(C#N)c1cc(ccc1)Br Canonical SMILES: N#CC1(COCC1)c1cccc(c1)Br InChI: InChI=1S/C11H10BrNO/c12-10-3-1-2-9(6-10)11(7-13)4-5-14-8-11/h1-3,6H,4-5,8H2 InChIKey: FQFHKHBFKNIADZ-UHFFFAOYSA-N
CBID:798816 http://www.chembase.cn/molecule-798816.html