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CHEBI:53744 - 2-(p-nitrophenyl)-4-ethoxymethyleneoxazol-5-one

ChEBI IDCHEBI:53744
ChEBI Name2-(p-nitrophenyl)-4-ethoxymethyleneoxazol-5-one
Stars
ASCII Name2-(p-nitrophenyl)-4-ethoxymethyleneoxazol-5-one
DefinitionA 1,3-oxazolone derivative having a nitrophenyl substituent at the 2-position, an ethoxymethylene group at the 4-position, and an oxo group at the 5-position.
Last Modified11 July 2014
Submitterzjosephs
DownloadsMolfile
FormulaC12H10N2O5
Net Charge0
Average Mass262.221
Monoisotopic Mass262.05897
SMILES[H]C(OCC)=C1N=C(c2ccc([N+](=O)[O-])cc2)OC1=O
InChIInChI=1S/C12H10N2O5/c1-2-18-7-10-12(15)19-11(13-10)8-3-5-9(6-4-8)14(16)17/h3-7H,2H2,1H3
InChIKeyZMARVJHNAZOGEK-UHFFFAOYSA-N
Roles Classification
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
2-(p-nitrophenyl)-4-ethoxymethyleneoxazol-5-one (CHEBI:53744) has role hapten (CHEBI:59174)
2-(p-nitrophenyl)-4-ethoxymethyleneoxazol-5-one (CHEBI:53744) is a 1,3-oxazoles (CHEBI:46812)
2-(p-nitrophenyl)-4-ethoxymethyleneoxazol-5-one (CHEBI:53744) is a γ-lactone (CHEBI:37581)
IUPAC Name 
4-(ethoxymethylidene)-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Synonyms  Source
NO2-phOxChEBI
4-ethoxymethylene-2-(4-nitrophenyl)-4-oxazol-5-oneChEBI
Registry NumbersSources
Reaxys:272912Reaxys
Citations