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SMILES: c1(cc(c(cn1)Br)C)C(=O)O Canonical SMILES: OC(=O)c1ncc(c(c1)C)Br InChI: InChI=1S/C7H6BrNO2/c1-4-2-6(7(10)11)9-3-5(4)8/h2-3H,1H3,(H,10,11) InChIKey: RMSVDYVOLGRLNJ-UHFFFAOYSA-N
CBID:69044 http://www.chembase.cn/molecule-69044.html