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SMILES: c1(ccc(c(c1)CC#N)OC)Br Canonical SMILES: COc1ccc(cc1CC#N)Br InChI: InChI=1S/C9H8BrNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4H2,1H3 InChIKey: VHFHMEZAFVNROO-UHFFFAOYSA-N
CBID:6954 http://www.chembase.cn/molecule-6954.html