CHEBI:228703 - 4,6-dimethyl-2-(methylamino)-5-nitronicotinonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4,6-dimethyl-2-(methylamino)-5-nitronicotinonitrile
ChEBI ID CHEBI:228703
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H10N4O2
Net Charge 0
Average Mass 206.205
Monoisotopic Mass 206.08038
InChI InChI=1S/C9H10N4O2/c1-5-7(4-10)9(11-3)12-6(2)8(5)13(14)15/h1-3H3,(H,11,12)
InChIKey OSCPQIFJZOCJIM-UHFFFAOYSA-N
SMILES [O-][N+](=O)C=1C(=C(C(=NC1C)NC)C#N)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing 4,6-dimethyl-2-(methylamino)-5-nitronicotinonitrile (CHEBI:228703) is a C-nitro compound (CHEBI:35716)
IUPAC Name
4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
Manual Xref Database
2008128 ChemSpider
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