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SMILES: n1c(c(c(c(c1C)Cl)C)C#N)O Canonical SMILES: N#Cc1c(O)nc(c(c1C)Cl)C InChI: InChI=1S/C8H7ClN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12) InChIKey: CEIUMKPKEXHJEN-UHFFFAOYSA-N
CBID:84240 http://www.chembase.cn/molecule-84240.html