Ethyl 4-[(Z)-(2,5-dinitrophenoxy)-NNO-azoxy]-1-piperazinecarboxylate (CHEBI:189175)

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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	Ethyl 4-[(Z)-(2,5-dinitrophenoxy)-NNO-azoxy]-1-piperazinecarboxylate

ChEBI ID	CHEBI:189175

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16N6O8

Net Charge

Average Mass

384.305

Monoisotopic Mass

384.10296

InChI

InChI=1S/C13H16N6O8/c1-2-26-13(20)15-5-7-16(8-6-15)19(25)14-27-12-9-10(17(21)22)3-4-11(12)18(23)24/h3-4,9H,2,5-8H2,1H3/b19-14-

InChIKey

IEYXVHQWLXJZAG-RGEXLXHISA-N

SMILES

O(C(=O)N1CCN(\[N+](\[O-])=N\OC2=C([N+]([O-])=O)C=CC([N+]([O-])=O)=C2)CC1)CC

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	Found in leaf (BTO:0000713). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Ethyl 4-[(Z)-(2,5-dinitrophenoxy)-NNO-azoxy]-1-piperazinecarboxylate (CHEBI:189175) is a piperazinecarboxylic acid (CHEBI:48683)

IUPAC Name

(Z)-(2,5-dinitrophenoxy)imino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium