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SMILES: c1(ccc2n(ncc2c1)C(=O)OC(C)(C)C)Br Canonical SMILES: Brc1ccc2c(c1)cnn2C(=O)OC(C)(C)C InChI: InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15/h4-7H,1-3H3 InChIKey: CAQGDWLRIQCXSP-UHFFFAOYSA-N
CBID:63933 http://www.chembase.cn/molecule-63933.html