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SMILES: c1n[nH]c2c(cc(cc12)OC)Br Canonical SMILES: COc1cc(Br)c2c(c1)cn[nH]2 InChI: InChI=1S/C8H7BrN2O/c1-12-6-2-5-4-10-11-8(5)7(9)3-6/h2-4H,1H3,(H,10,11) InChIKey: XXUFAKBMMGNXDU-UHFFFAOYSA-N
CBID:796046 http://www.chembase.cn/molecule-796046.html