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SMILES: COC(=O)c1cc(Br)c(cc1)C#N Canonical SMILES: COC(=O)c1ccc(c(c1)Br)C#N InChI: InChI=1S/C9H6BrNO2/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-4H,1H3 InChIKey: NPUBMRDPZDMJDK-UHFFFAOYSA-N
CBID:292477 http://www.chembase.cn/molecule-292477.html