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SMILES: C1(CCC(=O)CC1)(C#N)c1ccc(cc1)Br Canonical SMILES: N#CC1(CCC(=O)CC1)c1ccc(cc1)Br InChI: InChI=1S/C13H12BrNO/c14-11-3-1-10(2-4-11)13(9-15)7-5-12(16)6-8-13/h1-4H,5-8H2 InChIKey: KTUMOHADVSXZNV-UHFFFAOYSA-N
CBID:796276 http://www.chembase.cn/molecule-796276.html