EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:174162 - Dinitolmide

ChEBI IDCHEBI:174162
ChEBI NameDinitolmide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H7N3O5
Net Charge0
Average Mass225.160
Monoisotopic Mass225.03857
SMILESCc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
InChIKeyZEFNOZRLAWVAQF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Dinitolmide (CHEBI:174162) is a dinitrotoluene (CHEBI:23822)
IUPAC Name 
2-methyl-3,5-dinitrobenzamide
Manual XrefsDatabases
2982ChemSpider
D07857KEGG DRUG
DB11480DrugBank
HMDB0032558HMDB
Registry NumbersSources
CAS:148-01-6ChemIDplus