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SMILES: n1(c2ccc(cc2c(c1)Br)C#N)C(=O)OC(C)(C)C Canonical SMILES: N#Cc1ccc2c(c1)c(Br)cn2C(=O)OC(C)(C)C InChI: InChI=1S/C14H13BrN2O2/c1-14(2,3)19-13(18)17-8-11(15)10-6-9(7-16)4-5-12(10)17/h4-6,8H,1-3H3 InChIKey: HVLILIWVZXFTEM-UHFFFAOYSA-N
CBID:78085 http://www.chembase.cn/molecule-78085.html