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SMILES: c1(C(=O)O)c(ccc(c1)Br)NCC Canonical SMILES: CCNc1ccc(cc1C(=O)O)Br InChI: InChI=1S/C9H10BrNO2/c1-2-11-8-4-3-6(10)5-7(8)9(12)13/h3-5,11H,2H2,1H3,(H,12,13) InChIKey: GECLABGJKKFNJZ-UHFFFAOYSA-N
CBID:312220 http://www.chembase.cn/molecule-312220.html