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SMILES: c1(nn[nH]n1)c1ccc(C=O)cc1 Canonical SMILES: O=Cc1ccc(cc1)c1n[nH]nn1 InChI: InChI=1S/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12) InChIKey: SRGPTCYCHZMFOR-UHFFFAOYSA-N
CBID:33050 http://www.chembase.cn/molecule-33050.html