CHEBI:85867 - p-nitrophenyl butyrate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name p-nitrophenyl butyrate ChEBI ID CHEBI:85867 ChEBI ASCII Name p-nitrophenyl butyrate Definition A butyrate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of butyric acid. Stars This entity has been manually annotated by the ChEBI Team. Submitter Bijay Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H11NO4 Net Charge 0 Average Mass 209.19860 Monoisotopic Mass 209.06881 InChI InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3 InChIKey DVDUMIQZEUTAGK-UHFFFAOYSA-N SMILES CCCC(=O)Oc1ccc(cc1)[N+]([O-])=O ChEBI Ontology Outgoing p-nitrophenyl butyrate (CHEBI:85867) has functional parent 4-nitrophenol (CHEBI:16836) p-nitrophenyl butyrate (CHEBI:85867) is a C-nitro compound (CHEBI:35716) p-nitrophenyl butyrate (CHEBI:85867) is a butyrate ester (CHEBI:50477) IUPAC Name 4-nitrophenyl butyrate Synonyms Sources 4-nitrophenyl butanoate ChEBI p-nitrophenol butyrate ChemIDplus p-nitrophenyl butanoate ChEBI para-nitrophenyl butyrate ChemIDplus pNP-butyrate ChEBI PNPB SUBMITTER Manual Xref Database CPD0-2413 MetaCyc View more database links Registry Numbers Types Sources 1879729 Reaxys Registry Number Reaxys 2635-84-9 CAS Registry Number NIST Chemistry WebBook 2635-84-9 CAS Registry Number ChemIDplus Citations Types Sources 13032041 PubMed citation Europe PMC 25633600 PubMed citation Europe PMC 2794798 PubMed citation Europe PMC 4015714 PubMed citation Europe PMC 4052438 PubMed citation Europe PMC 6895751 PubMed citation Europe PMC 7107600 PubMed citation Europe PMC Last Modified 12 June 2015