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SMILES: c1nc(c(cn1)Br)C(=O)OC Canonical SMILES: COC(=O)c1ncncc1Br InChI: InChI=1S/C6H5BrN2O2/c1-11-6(10)5-4(7)2-8-3-9-5/h2-3H,1H3 InChIKey: XUPQZWPAEGFTMN-UHFFFAOYSA-N
CBID:67213 http://www.chembase.cn/molecule-67213.html