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SMILES: O=C(OC(C)(C)C)Nc1cc(C)c(Br)cc1C Canonical SMILES: O=C(Nc1cc(C)c(cc1C)Br)OC(C)(C)C InChI: InChI=1S/C13H18BrNO2/c1-8-7-11(9(2)6-10(8)14)15-12(16)17-13(3,4)5/h6-7H,1-5H3,(H,15,16) InChIKey: KUDAFKXDMDUGBB-UHFFFAOYSA-N
CBID:290254 http://www.chembase.cn/molecule-290254.html