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SMILES: O=c1[nH]cc(cc1C#N)Br Canonical SMILES: Brc1cc(C#N)c(=O)[nH]c1 InChI: InChI=1S/C6H3BrN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,(H,9,10) InChIKey: SWTLLSLCDHXNIU-UHFFFAOYSA-N
CBID:286845 http://www.chembase.cn/molecule-286845.html