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SMILES: n1ccc2c(c1I)OCCN2C(=O)OC(C)(C)C Canonical SMILES: O=C(N1CCOc2c1ccnc2I)OC(C)(C)C InChI: InChI=1S/C12H15IN2O3/c1-12(2,3)18-11(16)15-6-7-17-9-8(15)4-5-14-10(9)13/h4-5H,6-7H2,1-3H3 InChIKey: QVZVDFZAPHWSFX-UHFFFAOYSA-N
CBID:50607 http://www.chembase.cn/molecule-50607.html