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SMILES: n1c(c(cc(c1)C(=O)O)Br)O Canonical SMILES: OC(=O)c1cnc(c(c1)Br)O InChI: InChI=1S/C6H4BrNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2H,(H,8,9)(H,10,11) InChIKey: PQDLYKZCJBGXPQ-UHFFFAOYSA-N
CBID:53869 http://www.chembase.cn/molecule-53869.html