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CHEBI:58205 - 3-nitroacrylate

ChEBI IDCHEBI:58205
ChEBI Name3-nitroacrylate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base 3-nitroacrylic acid, formed by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC3H2NO4
Net Charge-1
Average Mass116.052
Monoisotopic Mass115.99893
SMILESO=C([O-])/C=C/[N+](=O)[O-]
InChIInChI=1S/C3H3NO4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)/p-1/b2-1+
InChIKeyMBNRADMGBBUWJK-OWOJBTEDSA-M
ChEBI Ontology
Outgoing Relation(s)
3-nitroacrylate (CHEBI:58205) is a monocarboxylic acid anion (CHEBI:35757)
3-nitroacrylate (CHEBI:58205) is conjugate base of 3-nitroacrylic acid (CHEBI:17610)
Incoming Relation(s)
3-nitroacrylic acid (CHEBI:17610) is conjugate acid of 3-nitroacrylate (CHEBI:58205)
IUPAC Name 
(2E)-3-nitroprop-2-enoate
Synonyms  Source
3-nitroacrylate anionChEBI
3-nitroacrylate(1−)ChEBI
(2E)-3-nitroacrylateChEBI
UniProt Name  Source
3-nitroacrylateUniProt