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SMILES: C(=O)(Cc1ncc(cn1)Br)O Canonical SMILES: OC(=O)Cc1ncc(cn1)Br InChI: InChI=1S/C6H5BrN2O2/c7-4-2-8-5(9-3-4)1-6(10)11/h2-3H,1H2,(H,10,11) InChIKey: VQTSLZVLSPVCJG-UHFFFAOYSA-N
CBID:66931 http://www.chembase.cn/molecule-66931.html