EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:116342 - N-[(2-chlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-4-triazolimine

ChEBI IDCHEBI:116342
ChEBI NameN-[(2-chlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-4-triazolimine
Stars
DownloadsMolfile
FormulaC17H14ClN5O5
Net Charge0
Average Mass403.782
Monoisotopic Mass403.06835
SMILESO=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCc1ccccc1Cl
InChIInChI=1S/C17H14ClN5O5/c18-13-4-2-1-3-11(13)10-19-16-17(23(25)26)20-21(22(16)24)12-5-6-14-15(9-12)28-8-7-27-14/h1-6,9,24H,7-8,10H2
InChIKeyRYGAZRVOWWHOFM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-4-triazolimine (CHEBI:116342) is a benzodioxine (CHEBI:64096)
Manual XrefsDatabases
LSM-27796LINCS