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SMILES: O=C(c1ccc(cc1)Br)NCC Canonical SMILES: CCNC(=O)c1ccc(cc1)Br InChI: InChI=1S/C9H10BrNO/c1-2-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3,(H,11,12) InChIKey: JXFKDGIMTQHLIT-UHFFFAOYSA-N
CBID:75783 http://www.chembase.cn/molecule-75783.html