CHEBI:131343 - 4-nitrophenyl 1-naphthoate

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ChEBI Name 4-nitrophenyl 1-naphthoate
ChEBI ID CHEBI:131343
Definition A naphthoate ester obtained by formal condensation of the carboxy group of 1-naphthoic acid with the phenolic hydroxy group of 4-nitrophenol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H11NO4
Net Charge 0
Average Mass 293.274
Monoisotopic Mass 293.06881
InChI InChI=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
InChIKey LFZNDEUETPVUAT-UHFFFAOYSA-N
SMILES O(C(=O)C=1C=2C(C=CC1)=CC=CC2)C3=CC=C([N+]([O-])=O)C=C3
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Number Type Source
1997865 Reaxys Registry Number Reaxys
Last Modified
28 July 2016