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SMILES: C(C(=O)O)c1nc(ccn1)Br Canonical SMILES: OC(=O)Cc1nccc(n1)Br InChI: InChI=1S/C6H5BrN2O2/c7-4-1-2-8-5(9-4)3-6(10)11/h1-2H,3H2,(H,10,11) InChIKey: QQKVWLQAGUEUGB-UHFFFAOYSA-N
CBID:803772 http://www.chembase.cn/molecule-803772.html