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SMILES: n1(c2ccc(c(c2cn1)Br)C)C(=O)OC(C)(C)C Canonical SMILES: Cc1ccc2c(c1Br)cnn2C(=O)OC(C)(C)C InChI: InChI=1S/C13H15BrN2O2/c1-8-5-6-10-9(11(8)14)7-15-16(10)12(17)18-13(2,3)4/h5-7H,1-4H3 InChIKey: GQRYROVGFBSASA-UHFFFAOYSA-N
CBID:90595 http://www.chembase.cn/molecule-90595.html