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SMILES: O=C(OC(C)(C)C)C(c1ncc(Br)cc1)C#N Canonical SMILES: N#CC(c1ccc(cn1)Br)C(=O)OC(C)(C)C InChI: InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)9(6-14)10-5-4-8(13)7-15-10/h4-5,7,9H,1-3H3 InChIKey: PGJMVMLMMGJZLZ-UHFFFAOYSA-N
CBID:290620 http://www.chembase.cn/molecule-290620.html