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SMILES: CC(C)(C)OC(=O)n1cc(cn1)I Canonical SMILES: O=C(n1ncc(c1)I)OC(C)(C)C InChI: InChI=1S/C8H11IN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3 InChIKey: WRCRIGRVTPLDDD-UHFFFAOYSA-N
CBID:149999 http://www.chembase.cn/molecule-149999.html