CHEBI:228822 - Dimethyl 2-(3-nitro-2-pyridyl)malonate

ChEBI IDCHEBI:228822
ChEBI NameDimethyl 2-(3-nitro-2-pyridyl)malonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10N2O6
Net Charge0
Average Mass254.198
Monoisotopic Mass254.05389
SMILESCOC(=O)C(C(=O)OC)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O6/c1-17-9(13)7(10(14)18-2)8-6(12(15)16)4-3-5-11-8/h3-5,7H,1-2H3
InChIKeyZGJBYLKQNZJCFD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Dimethyl 2-(3-nitro-2-pyridyl)malonate (CHEBI:228822) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
dimethyl 2-(3-nitropyridin-2-yl)propanedioate
Manual XrefsDatabases
2062363ChemSpider