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SMILES: O=[N+](c1cc(Br)c(OCC)cc1NCC)[O-] Canonical SMILES: CCNc1cc(OCC)c(cc1[N+](=O)[O-])Br InChI: InChI=1S/C10H13BrN2O3/c1-3-12-8-6-10(16-4-2)7(11)5-9(8)13(14)15/h5-6,12H,3-4H2,1-2H3 InChIKey: GVTPMIRSLYSXIV-UHFFFAOYSA-N
CBID:290310 http://www.chembase.cn/molecule-290310.html