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SMILES: COC(=O)c1n[nH]c(Br)c1 Canonical SMILES: COC(=O)c1cc([nH]n1)Br InChI: InChI=1S/C5H5BrN2O2/c1-10-5(9)3-2-4(6)8-7-3/h2H,1H3,(H,7,8) InChIKey: RLDJSZKPUPTTNO-UHFFFAOYSA-N
CBID:291689 http://www.chembase.cn/molecule-291689.html