ethyl 1-(3-nitro-2-thienyl)piperidine-4-carboxylate (CHEBI:228669)

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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 1-(3-nitro-2-thienyl)piperidine-4-carboxylate

ChEBI ID	CHEBI:228669

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16N2O4S

Net Charge

Average Mass

284.330

Monoisotopic Mass

284.08308

InChI

InChI=1S/C12H16N2O4S/c1-2-18-12(15)9-3-6-13(7-4-9)11-10(14(16)17)5-8-19-11/h5,8-9H,2-4,6-7H2,1H3

InChIKey

JZSLPTWXOQPUFB-UHFFFAOYSA-N

SMILES

S1C(N2CCC(CC2)C(OCC)=O)=C([N+]([O-])=O)C=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). 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 1-(3-nitro-2-thienyl)piperidine-4-carboxylate (CHEBI:228669) is a carboxylic acid (CHEBI:33575) ethyl 1-(3-nitro-2-thienyl)piperidine-4-carboxylate (CHEBI:228669) is a piperidines (CHEBI:26151)

IUPAC Name

ethyl 1-(3-nitrothiophen-2-yl)piperidine-4-carboxylate