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SMILES: O=C(OCC)c1nc(N)ccc1Br Canonical SMILES: CCOC(=O)c1nc(N)ccc1Br InChI: InChI=1S/C8H9BrN2O2/c1-2-13-8(12)7-5(9)3-4-6(10)11-7/h3-4H,2H2,1H3,(H2,10,11) InChIKey: WCFSXWLYTRSYEV-UHFFFAOYSA-N
CBID:290878 http://www.chembase.cn/molecule-290878.html