Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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