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SMILES: O=C(c1cc(ccc1)Br)NCCC Canonical SMILES: CCCNC(=O)c1cccc(c1)Br InChI: InChI=1S/C10H12BrNO/c1-2-6-12-10(13)8-4-3-5-9(11)7-8/h3-5,7H,2,6H2,1H3,(H,12,13) InChIKey: BNLCNTGICCHYNX-UHFFFAOYSA-N
CBID:75775 http://www.chembase.cn/molecule-75775.html