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SMILES: c1([nH]nc(c1)CC(C)C)C(=O)O Canonical SMILES: CC(Cc1cc([nH]n1)C(=O)O)C InChI: InChI=1S/C8H12N2O2/c1-5(2)3-6-4-7(8(11)12)10-9-6/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12) InChIKey: OCAWPZXEVMMJMI-UHFFFAOYSA-N
CBID:113398 http://www.chembase.cn/molecule-113398.html