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

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ChEBI Name 2-(p-nitrophenyl)-4-ethoxymethyleneoxazol-5-one
ChEBI ID CHEBI:53744
ChEBI ASCII Name 2-(p-nitrophenyl)-4-ethoxymethyleneoxazol-5-one
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H10N2O5
Net Charge 0
Average Mass 262.21820
Monoisotopic Mass 262.05897
InChI InChI=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
InChIKey ZMARVJHNAZOGEK-UHFFFAOYSA-N
SMILES [H]C(OCC)=C1N=C(OC1=O)c1ccc(cc1)[N+]([O-])=O
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 γ-lactone (CHEBI:37581)
2-(p-nitrophenyl)-4-ethoxymethyleneoxazol-5-one (CHEBI:53744) is a 1,3-oxazoles (CHEBI:46812)
IUPAC Name
4-(ethoxymethylidene)-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Synonyms Sources
4-ethoxymethylene-2-(4-nitrophenyl)-4-oxazol-5-one ChEBI
NO2-phOx ChEBI
Registry Number Type Source
272912 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
90089 PubMed citation Europe PMC
Last Modified
11 July 2014