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SMILES: O=C(c1nc(CC)ncc1Br)O Canonical SMILES: CCc1ncc(c(n1)C(=O)O)Br InChI: InChI=1S/C7H7BrN2O2/c1-2-5-9-3-4(8)6(10-5)7(11)12/h3H,2H2,1H3,(H,11,12) InChIKey: FTBWYCGHGSATOE-UHFFFAOYSA-N
CBID:294527 http://www.chembase.cn/molecule-294527.html