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SMILES: O=C1N(c2nccc(Br)c2)CCC1 Canonical SMILES: Brc1ccnc(c1)N1CCCC1=O InChI: InChI=1S/C9H9BrN2O/c10-7-3-4-11-8(6-7)12-5-1-2-9(12)13/h3-4,6H,1-2,5H2 InChIKey: UVFXYTSNRWHLCC-UHFFFAOYSA-N
CBID:290611 http://www.chembase.cn/molecule-290611.html