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SMILES: c1(n(ncc1Br)C)C(=O)OC Canonical SMILES: COC(=O)c1c(Br)cnn1C InChI: InChI=1S/C6H7BrN2O2/c1-9-5(6(10)11-2)4(7)3-8-9/h3H,1-2H3 InChIKey: XOGHZBXSBLBJHQ-UHFFFAOYSA-N
CBID:38014 http://www.chembase.cn/molecule-38014.html