EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123443 - 4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide

ChEBI IDCHEBI:123443
ChEBI Name4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
Stars
DownloadsMolfile
FormulaC21H21N5O6
Net Charge0
Average Mass439.428
Monoisotopic Mass439.14918
SMILESCc1ccc(Oc2cc(NC(=O)CCCn3nc([N+](=O)[O-])cc3C)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C21H21N5O6/c1-14-5-7-18(8-6-14)32-19-12-16(11-17(13-19)25(28)29)22-21(27)4-3-9-24-15(2)10-20(23-24)26(30)31/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,27)
InChIKeyVZXQLBZUZNULIW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide (CHEBI:123443) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-34885LINCS