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SMILES: c1(n(cnc1)C(c1ccccc1)C)C(=O)O Canonical SMILES: OC(=O)c1cncn1C(c1ccccc1)C InChI: InChI=1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16) InChIKey: RGYCCBLTSWHXIS-UHFFFAOYSA-N
CBID:12812 http://www.chembase.cn/molecule-12812.html