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SMILES: n1c(n[nH]c1CCC(=O)O)Br Canonical SMILES: OC(=O)CCc1nc(n[nH]1)Br InChI: InChI=1S/C5H6BrN3O2/c6-5-7-3(8-9-5)1-2-4(10)11/h1-2H2,(H,10,11)(H,7,8,9) InChIKey: KJAOKOYUNZGSFY-UHFFFAOYSA-N
CBID:60093 http://www.chembase.cn/molecule-60093.html