3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyric acid ethyl ester (HCID 11525330)

基本情報

標準SMILES: CCOC(=O)CC(C)(C)CN1C(=O)c2cc3oc(-c4ccc([N+](=O)[O-])cc4)cc3n2C1=S
InChIKey: KKNYXVYBEQPFMA-UHFFFAOYSA-N
分子式: C22H21N3O6S
平均分子量: 455.5 g/mol
単同位体質量: 455.11510657

名称と識別子

優先名称: 3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyric acid ethyl ester
IUPAC: ethyl 3,3-dimethyl-4-[4-(4-nitrophenyl)-9-oxo-11-sulfanylidene-5-oxa-1,10-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7-trien-10-yl]butanoate

名称と別名

SCHEMBL3085100KKNYXVYBEQPFMA-UHFFFAOYSA-N3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyric acid ethyl ester