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SMILES: c1(c(c(ncc1)Br)N)C(=O)O Canonical SMILES: OC(=O)c1ccnc(c1N)Br InChI: InChI=1S/C6H5BrN2O2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2H,8H2,(H,10,11) InChIKey: DSPNPNXNZQMNHI-UHFFFAOYSA-N
CBID:244062 http://www.chembase.cn/molecule-244062.html