EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:34880 - NS-102

ChEBI IDCHEBI:34880
ChEBI NameNS-102
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H11N3O4
Net Charge0
Average Mass261.237
Monoisotopic Mass261.07496
SMILESO=C1Nc2c(cc(N(=O)=O)c3c2CCCC3)/C1=N\O
InChIInChI=1S/C12H11N3O4/c16-12-11(14-17)8-5-9(15(18)19)6-3-1-2-4-7(6)10(8)13-12/h5,17H,1-4H2,(H,13,14,16)
InChIKeySCDBMLHUXJBJSS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
NS-102 (CHEBI:34880) is a nitronaphthalene (CHEBI:50631)
Synonym  Source
NS-102KEGG COMPOUND
Manual XrefsDatabases
C13731KEGG COMPOUND