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SMILES: n1cc(c(cc1)C(=O)OC)CBr Canonical SMILES: COC(=O)c1ccncc1CBr InChI: InChI=1S/C8H8BrNO2/c1-12-8(11)7-2-3-10-5-6(7)4-9/h2-3,5H,4H2,1H3 InChIKey: LOOCRFUNMHYTIC-UHFFFAOYSA-N
CBID:802758 http://www.chembase.cn/molecule-802758.html