EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:50639 - 1,4-dinitronaphthalene

Default Structure
ChEBI IDCHEBI:50639
ChEBI Name1,4-dinitronaphthalene
Stars
Last Modified18 September 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H6N2O4
Net Charge0
Average Mass218.168
Monoisotopic Mass218.03276
SMILESO=[N+]([O-])c1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C10H6N2O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H
InChIKeyGQBQDMFMXMUHAA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,4-dinitronaphthalene (CHEBI:50639) is a dinitronaphthalene (CHEBI:50636)
IUPAC Name 
1,4-dinitronaphthalene
Registry NumbersSources
Beilstein:2123019Beilstein
CAS:6921-26-2ChemIDplus
CAS:6921-26-2NIST Chemistry WebBook