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SMILES: c1cc(ccc1CC#N)N=C=O Canonical SMILES: N#CCc1ccc(cc1)N=C=O InChI: InChI=1S/C9H6N2O/c10-6-5-8-1-3-9(4-2-8)11-7-12/h1-4H,5H2 InChIKey: DFMDTDBDIAZYNT-UHFFFAOYSA-N
CBID:151721 http://www.chembase.cn/molecule-151721.html