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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > phenylpyridine > 3,5-pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-, 5-methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > phenylpyridine > 3,5-pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-, 5-methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyridines > phenylpyridine > 3,5-pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-, 5-methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyridines > phenylpyridine > 3,5-pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-, 5-methyl ester

Preferred term

3,5-pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-, 5-methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C16H14N2O7

inchi

  • InChI=1S/C16H14N2O7/c1-8-12(16(22)25-2)13(14(15(20)21)10(7-19)17-8)9-5-3-4-6-11(9)18(23)24/h3-6,19H,7H2,1-2H3,(H,20,21)

inchikey

  • ARDQNVJJIRIJPD-UHFFFAOYSA-N

mass

  • 346.295

monoisotopicmass

  • 346.08010

smiles

  • O(C(=O)C=1C(=C(C(=NC1C)CO)C(O)=O)C=2C([N+]([O-])=O)=CC=CC2)C

subset

  • 2_STAR

synonym EXACT

  • 2-(hydroxymethyl)-5-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188176

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