CHEBI:142863 - 4-nitrobenzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-nitrobenzoate
ChEBI ID CHEBI:142863
Definition A member of the class of benzoates resulting from the deprotonation of the carboxy group of 4-nitrobenzoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C7H4NO4
Net Charge -1
Average Mass 166.111
Monoisotopic Mass 166.01458
InChI InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)/p-1
InChIKey OTLNPYWUJOZPPA-UHFFFAOYSA-M
SMILES C1=C(C([O-])=O)C=CC(=C1)[N+]([O-])=O
ChEBI Ontology
Outgoing 4-nitrobenzoate (CHEBI:142863) has functional parent benzoate (CHEBI:16150)
4-nitrobenzoate (CHEBI:142863) is a benzoates (CHEBI:22718)
4-nitrobenzoate (CHEBI:142863) is conjugate base of 4-nitrobenzoic acid (CHEBI:262350)
Incoming 4-nitrobenzoic acid (CHEBI:262350) is conjugate acid of 4-nitrobenzoate (CHEBI:142863)
Synonyms Sources
4-nitrobenzoate UniProt
4NBZate MetaCyc
p-nitrobenzoate ChEBI
Manual Xref Database
CPD-704 MetaCyc
View more database links
Last Modified
10 January 2019