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SMILES: c1cn(c(c1)Br)C(=O)OC(C)(C)C Canonical SMILES: O=C(n1cccc1Br)OC(C)(C)C InChI: InChI=1S/C9H12BrNO2/c1-9(2,3)13-8(12)11-6-4-5-7(11)10/h4-6H,1-3H3 InChIKey: HMQSOVFFDHSOMX-UHFFFAOYSA-N
CBID:162554 http://www.chembase.cn/molecule-162554.html