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SMILES: C1(=O)COCCN1c1cc(ncc1)Br Canonical SMILES: O=C1COCCN1c1ccnc(c1)Br InChI: InChI=1S/C9H9BrN2O2/c10-8-5-7(1-2-11-8)12-3-4-14-6-9(12)13/h1-2,5H,3-4,6H2 InChIKey: PYYSDQCMWUWNMA-UHFFFAOYSA-N
CBID:814212 http://www.chembase.cn/molecule-814212.html