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SMILES: O=c1[nH]cc(Br)c2c1nccc2 Canonical SMILES: Brc1c[nH]c(=O)c2c1cccn2 InChI: InChI=1S/C8H5BrN2O/c9-6-4-11-8(12)7-5(6)2-1-3-10-7/h1-4H,(H,11,12) InChIKey: OWSHCBPPPAJVAA-UHFFFAOYSA-N
CBID:287723 http://www.chembase.cn/molecule-287723.html