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SMILES: O=C(c1c(C)c(Br)n[nH]1)OCC Canonical SMILES: Cc1c(C(=O)OCC)[nH]nc1Br InChI: InChI=1S/C7H9BrN2O2/c1-3-12-7(11)5-4(2)6(8)10-9-5/h3H2,1-2H3,(H,9,10) InChIKey: NTESQBJRJKBHKE-UHFFFAOYSA-N
CBID:289046 http://www.chembase.cn/molecule-289046.html