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

ChEBI IDCHEBI:228669
ChEBI Nameethyl 1-(3-nitro-2-thienyl)piperidine-4-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16N2O4S
Net Charge0
Average Mass284.337
Monoisotopic Mass284.08308
SMILESCCOC(=O)C1CCN(c2sccc2[N+](=O)[O-])CC1
InChIInChI=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
InChIKeyJZSLPTWXOQPUFB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
2101378ChemSpider