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SMILES: C(=O)(Nc1ncc(Br)cc1)C(C)C Canonical SMILES: O=C(C(C)C)Nc1ccc(cn1)Br InChI: InChI=1S/C9H11BrN2O/c1-6(2)9(13)12-8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,11,12,13) InChIKey: REPAKPGWFIZPIY-UHFFFAOYSA-N
CBID:311383 http://www.chembase.cn/molecule-311383.html