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SMILES: n1(c(cc(c1)Br)C#N)C Canonical SMILES: Cn1cc(cc1C#N)Br InChI: InChI=1S/C6H5BrN2/c1-9-4-5(7)2-6(9)3-8/h2,4H,1H3 InChIKey: BDLUSUZCSSZHDN-UHFFFAOYSA-N
CBID:120774 http://www.chembase.cn/molecule-120774.html