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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > 4-nitro-6-oxohepta-2,4-dienedioic acid
organooxygen compound > carbonyl compound > ketone > 4-nitro-6-oxohepta-2,4-dienedioic acid

Preferred term

4-nitro-6-oxohepta-2,4-dienedioic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C7H5NO7

inchi

  • InChI=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+

inchikey

  • WQSLVSOAROUIFS-MVJNYCIBSA-N

mass

  • 215.11710

monoisotopicmass

  • 215.00660

smiles

  • OC(=O)/C=C/C(=C/C(=O)C(O)=O)[N+]([O-])=O

subset

  • 3_STAR

synonym EXACT

  • (2E,4E)-4-nitro-6-oxohepta-2,4-dienedioic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67104

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