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CHEBI:60066 - 2-methoxy-4-nitrophenyl isocyanate

ChEBI IDCHEBI:60066
ChEBI Name2-methoxy-4-nitrophenyl isocyanate
Stars
DefinitionAn isocyanate having a 2-methoxy-4-nitrophenyl group attached to the nitrogen.
Last Modified24 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC8H6N2O4
Net Charge0
Average Mass194.146
Monoisotopic Mass194.03276
SMILESCOc1cc([N+](=O)[O-])ccc1N=C=O
InChIInChI=1S/C8H6N2O4/c1-14-8-4-6(10(12)13)2-3-7(8)9-5-11/h2-4H,1H3
InChIKeyVOTZJLLPYYCZRY-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-methoxy-4-nitrophenyl isocyanate (CHEBI:60066) has role hapten (CHEBI:59174)
2-methoxy-4-nitrophenyl isocyanate (CHEBI:60066) is a 3-nitroanisoles (CHEBI:48974)
2-methoxy-4-nitrophenyl isocyanate (CHEBI:60066) is a isocyanates (CHEBI:53212)
IUPAC Name 
1-isocyanato-2-methoxy-4-nitrobenzene
Synonym  Source
2-isocyanato-5-nitrophenyl methyl etherChEBI
Registry NumbersSources
Beilstein:2848613Beilstein
Citations