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SMILES: n1(cc(cn1)Cl)C(C)C(=O)O Canonical SMILES: CC(n1cc(cn1)Cl)C(=O)O InChI: InChI=1S/C6H7ClN2O2/c1-4(6(10)11)9-3-5(7)2-8-9/h2-4H,1H3,(H,10,11) InChIKey: WTNFOIQEOSAJAG-UHFFFAOYSA-N
CBID:58195 http://www.chembase.cn/molecule-58195.html