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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N1,N1-diethyl-4-[5-(4-nitrophenyl)-1,3-oxazolan-2-yl]aniline

ChEBI ID	CHEBI:228475

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H23N3O3

Net Charge

Average Mass

341.411

Monoisotopic Mass

341.17394

InChI

InChI=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

InChIKey

PKLBKECPTTUKNK-UHFFFAOYSA-N

SMILES

O1C(CNC1C2=CC=C(N(CC)CC)C=C2)C3=CC=C([N+]([O-])=O)C=C3

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	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