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SMILES: n1c(c(cc(c1)Br)CC#N)O Canonical SMILES: Oc1ncc(cc1CC#N)Br InChI: InChI=1S/C7H5BrN2O/c8-6-3-5(1-2-9)7(11)10-4-6/h3-4H,1H2,(H,10,11) InChIKey: TXQSIWVKNWZPTN-UHFFFAOYSA-N
CBID:248140 http://www.chembase.cn/molecule-248140.html