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SMILES: c1(c2c(nc3c1CCCC3)ccc(c2)Br)C(=O)O Canonical SMILES: Brc1ccc2c(c1)c(C(=O)O)c1c(n2)CCCC1 InChI: InChI=1S/C14H12BrNO2/c15-8-5-6-12-10(7-8)13(14(17)18)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H,17,18) InChIKey: INXRKMNRRUIKBF-UHFFFAOYSA-N
CBID:233059 http://www.chembase.cn/molecule-233059.html