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CHEBI:228475 - N1,N1-diethyl-4-[5-(4-nitrophenyl)-1,3-oxazolan-2-yl]aniline

ChEBI IDCHEBI:228475
ChEBI NameN1,N1-diethyl-4-[5-(4-nitrophenyl)-1,3-oxazolan-2-yl]aniline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23N3O3
Net Charge0
Average Mass341.411
Monoisotopic Mass341.17394
SMILESCCN(CC)c1ccc(C2NCC(c3ccc([N+](=O)[O-])cc3)O2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-21(4-2)16-9-7-15(8-10-16)19-20-13-18(25-19)14-5-11-17(12-6-14)22(23)24/h5-12,18-20H,3-4,13H2,1-2H3
InChIKeyPKLBKECPTTUKNK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
N1,N1-diethyl-4-[5-(4-nitrophenyl)-1,3-oxazolan-2-yl]aniline (CHEBI:228475) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
N,N-diethyl-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
Manual XrefsDatabases
2080941ChemSpider