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SMILES: COC(=O)c1c2n(cccc2Br)nc1 Canonical SMILES: COC(=O)c1cnn2c1c(Br)ccc2 InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)6-5-11-12-4-2-3-7(10)8(6)12/h2-5H,1H3 InChIKey: CPFGPWPGRTUWAK-UHFFFAOYSA-N
CBID:288666 http://www.chembase.cn/molecule-288666.html