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CHEBI:67104 - 4-nitro-6-oxohepta-2,4-dienedioic acid

ChEBI IDCHEBI:67104
ChEBI Name4-nitro-6-oxohepta-2,4-dienedioic acid
Stars
DefinitionAn oxo dicarboxylic acid that is 6-oxohepta-2,4-dienedioic acid substituted at position 4 by a nitro group.
Last Modified10 August 2012
SubmitterSteve
DownloadsMolfile
FormulaC7H5NO7
Net Charge0
Average Mass215.117
Monoisotopic Mass215.00660
SMILESO=C(O)/C=C/C(=C\C(=O)C(=O)O)[N+](=O)[O-]
InChIInChI=1S/C7H5NO7/c9-5(7(12)13)3-4(8(14)15)1-2-6(10)11/h1-3H,(H,10,11)(H,12,13)/b2-1+,4-3+
InChIKeyWQSLVSOAROUIFS-MVJNYCIBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-nitro-6-oxohepta-2,4-dienedioic acid (CHEBI:67104) is a C-nitro compound (CHEBI:35716)
4-nitro-6-oxohepta-2,4-dienedioic acid (CHEBI:67104) is a ketone (CHEBI:17087)
4-nitro-6-oxohepta-2,4-dienedioic acid (CHEBI:67104) is a oxo dicarboxylic acid (CHEBI:36145)
4-nitro-6-oxohepta-2,4-dienedioic acid (CHEBI:67104) is conjugate acid of 4-nitro-6-oxohepta-2,4-dienedioate (CHEBI:66945)
Incoming Relation(s)
4-nitro-6-oxohepta-2,4-dienedioate (CHEBI:66945) is conjugate base of 4-nitro-6-oxohepta-2,4-dienedioic acid (CHEBI:67104)
IUPAC Name 
(2E,4E)-4-nitro-6-oxohepta-2,4-dienedioic acid
Citations