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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 > secondary carboxamide > 4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester
organooxygen compound > carboxamide > secondary carboxamide > 4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > 4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester
organooxygen compound > ester > carboxylic ester > isopropyl ester > 4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester
organooxygen compound > carbonyl compound > carboxylic ester > isopropyl ester > 4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester

Preferred term

4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C16H18BrN3O3

inchi

  • InChI=1S/C16H18BrN3O3/c1-4-20-14(13(17)9-18-20)15(21)19-12-7-5-11(6-8-12)16(22)23-10(2)3/h5-10H,4H2,1-3H3,(H,19,21)

inchikey

  • PQCYGOOWNHMIIA-UHFFFAOYSA-N

mass

  • 380.237

monoisotopicmass

  • 379.05315

smiles

  • CCN1C(=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114757

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