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SMILES: c1(=N)n(c2c(n1CC=C)cccc2)CC(=O)O.Br Canonical SMILES: C=CCn1c(=N)n(c2c1cccc2)CC(=O)O.Br InChI: InChI=1S/C12H13N3O2.BrH/c1-2-7-14-9-5-3-4-6-10(9)15(12(14)13)8-11(16)17;/h2-6,13H,1,7-8H2,(H,16,17);1H InChIKey: MWDMWKMPGGMLIY-UHFFFAOYSA-N
CBID:11069 http://www.chembase.cn/molecule-11069.html