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SMILES: c1(n(ncc1Br)CC)C(=O)O Canonical SMILES: CCn1ncc(c1C(=O)O)Br InChI: InChI=1S/C6H7BrN2O2/c1-2-9-5(6(10)11)4(7)3-8-9/h3H,2H2,1H3,(H,10,11) InChIKey: QBZXHFRMFOYDSR-UHFFFAOYSA-N
CBID:28402 http://www.chembase.cn/molecule-28402.html