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SMILES: c1(=O)n(c2c(o1)cccc2)CCBr Canonical SMILES: BrCCn1c(=O)oc2c1cccc2 InChI: InChI=1S/C9H8BrNO2/c10-5-6-11-7-3-1-2-4-8(7)13-9(11)12/h1-4H,5-6H2 InChIKey: ZXIXDDXYXCANPH-UHFFFAOYSA-N
CBID:254964 http://www.chembase.cn/molecule-254964.html