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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > amidobenzoic acid > 3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid
organooxygen compound > carboxamide > monocarboxylic acid amide > amidobenzoic acid > 3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > amidobenzoic acid > 3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > amidobenzoic acid > 3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > amidobenzoic acid > 3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > amidobenzoic acid > 3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > amidobenzoic acid > 3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid
organic aromatic compound > aromatic carboxylic acid > benzoic acids > amidobenzoic acid > 3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid

Preferred term

3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C22H18N2O5

inchi

  • InChI=1S/C22H18N2O5/c1-4-10-29-19-9-8-15(12-20(19)28-3)11-18-14(2)23-24(21(18)25)17-7-5-6-16(13-17)22(26)27/h1,5-9,11-13H,10H2,2-3H3,(H,26,27)

inchikey

  • NJWUHLOOLLYOSU-UHFFFAOYSA-N

mass

  • 390.390

monoisotopicmass

  • 390.12157

smiles

  • CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC#C)OC)C3=CC=CC(=C3)C(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112982

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