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SMILES: c1cnc(c(c1)OCC(=O)OCC)Br Canonical SMILES: CCOC(=O)COc1cccnc1Br InChI: InChI=1S/C9H10BrNO3/c1-2-13-8(12)6-14-7-4-3-5-11-9(7)10/h3-5H,2,6H2,1H3 InChIKey: NRLUWIISBQIZAA-UHFFFAOYSA-N
CBID:37031 http://www.chembase.cn/molecule-37031.html