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CHEBI:131343 - 4-nitrophenyl 1-naphthoate

ChEBI IDCHEBI:131343
ChEBI Name4-nitrophenyl 1-naphthoate
Stars
DefinitionA naphthoate ester obtained by formal condensation of the carboxy group of 1-naphthoic acid with the phenolic hydroxy group of 4-nitrophenol.
Last Modified28 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC17H11NO4
Net Charge0
Average Mass293.278
Monoisotopic Mass293.06881
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12
InChIInChI=1S/C17H11NO4/c19-17(22-14-10-8-13(9-11-14)18(20)21)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKeyLFZNDEUETPVUAT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS298)
- PubMed (26839171)
ChEBI Ontology
Outgoing Relation(s)
4-nitrophenyl 1-naphthoate (CHEBI:131343) has functional parent 4-nitrophenol (CHEBI:16836)
4-nitrophenyl 1-naphthoate (CHEBI:131343) is a naphthoate ester (CHEBI:46831)
IUPAC Name 
4-nitrophenyl naphthalene-1-carboxylate
Registry NumbersSources
Reaxys:1997865Reaxys