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SMILES: n1c(cccc1CC#N)C(=O)O Canonical SMILES: N#CCc1cccc(n1)C(=O)O InChI: InChI=1S/C8H6N2O2/c9-5-4-6-2-1-3-7(10-6)8(11)12/h1-3H,4H2,(H,11,12) InChIKey: OHCPKZWRMPEWJZ-UHFFFAOYSA-N
CBID:802126 http://www.chembase.cn/molecule-802126.html