CHEBI:82190 - Nitralin

ChEBI IDCHEBI:82190
ChEBI NameNitralin
Stars
DownloadsMolfile
FormulaC13H19N3O6S
Net Charge0
Average Mass345.377
Monoisotopic Mass345.09946
SMILESCCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3
InChIKeyUMKANAFDOQQUKE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Nitralin (CHEBI:82190) is a C-nitro compound (CHEBI:35716)
Manual XrefsDatabases
C19064KEGG COMPOUND
1284PPDB
Registry NumbersSources
CAS:4726-14-1KEGG COMPOUND