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SMILES: n1[nH]c(=O)cc2c1CCCCC2 Canonical SMILES: O=c1[nH]nc2c(c1)CCCCC2 InChI: InChI=1S/C9H12N2O/c12-9-6-7-4-2-1-3-5-8(7)10-11-9/h6H,1-5H2,(H,11,12) InChIKey: CTKCLFUQFOKBPS-UHFFFAOYSA-N
CBID:309376 http://www.chembase.cn/molecule-309376.html