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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1h-pyrazole-3,5-dicarboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1h-pyrazole-3,5-dicarboxylic acid
organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid > 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1h-pyrazole-3,5-dicarboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > dicarboxylic acid > 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1h-pyrazole-3,5-dicarboxylic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organochlorine compound > chlorobenzenes > dichlorobenzene > 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1h-pyrazole-3,5-dicarboxylic acid

Preferred term

1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1h-pyrazole-3,5-dicarboxylic acid  

Type

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

Narrower concepts

charge

  • 0

formula

  • C12H10Cl2N2O4

inchi

  • InChI=1S/C12H10Cl2N2O4/c1-12(11(19)20)5-8(10(17)18)15-16(12)9-3-2-6(13)4-7(9)14/h2-4H,5H2,1H3,(H,17,18)(H,19,20)

inchikey

  • XEJNEDVTJPXRSM-UHFFFAOYSA-N

mass

  • 317.125

monoisotopicmass

  • 316.00176

smiles

  • C1(N(N=C(C1)C(=O)O)C=2C=CC(=CC2Cl)Cl)(C(O)=O)C

subset

  • 3_STAR

synonym EXACT

  • 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:133764

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