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SMILES: n1c(c(c(cc1)Br)OC)C=O Canonical SMILES: COc1c(C=O)nccc1Br InChI: InChI=1S/C7H6BrNO2/c1-11-7-5(8)2-3-9-6(7)4-10/h2-4H,1H3 InChIKey: GNHNIUNSQCXNNL-UHFFFAOYSA-N
CBID:795920 http://www.chembase.cn/molecule-795920.html