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SMILES: c1cc(ccc1Br)C(=O)CC#N Canonical SMILES: N#CCC(=O)c1ccc(cc1)Br InChI: InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2 InChIKey: HSNWUXWZCSDJPL-UHFFFAOYSA-N
CBID:41533 http://www.chembase.cn/molecule-41533.html