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SMILES: c1(c(cn(n1)CC)Cl)C(=O)O Canonical SMILES: CCn1cc(c(n1)C(=O)O)Cl InChI: InChI=1S/C6H7ClN2O2/c1-2-9-3-4(7)5(8-9)6(10)11/h3H,2H2,1H3,(H,10,11) InChIKey: ABUPYBBLLDSUMF-UHFFFAOYSA-N
CBID:30531 http://www.chembase.cn/molecule-30531.html