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SMILES: Cc1ccc(cc1)C#N.C(=O)=O Canonical SMILES: N#Cc1ccc(cc1)C.O=C=O InChI: InChI=1S/C8H7N.CO2/c1-7-2-4-8(6-9)5-3-7;2-1-3/h2-5H,1H3; InChIKey: RKDUGCFRXXRFAQ-UHFFFAOYSA-N
CBID:298658 http://www.chembase.cn/molecule-298658.html