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SMILES: c1(ccc(c(c1)C#N)O)Br Canonical SMILES: N#Cc1cc(Br)ccc1O InChI: InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H InChIKey: PVCONXMDUZOPJH-UHFFFAOYSA-N
CBID:6928 http://www.chembase.cn/molecule-6928.html