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SMILES: n1(cc(c2ccccc12)C(=O)CC#N)C Canonical SMILES: N#CCC(=O)c1cn(c2c1cccc2)C InChI: InChI=1S/C12H10N2O/c1-14-8-10(12(15)6-7-13)9-4-2-3-5-11(9)14/h2-5,8H,6H2,1H3 InChIKey: XMHFECXPWICLHO-UHFFFAOYSA-N
CBID:16238 http://www.chembase.cn/molecule-16238.html