skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > ester > carboxylic ester > amino-acid ester > alpha-amino acid ester > 2-[3-phenyl-7-(trifluoromethyl)-1-indazolyl]acetic acid methyl ester
... > organooxygen compound > carbonyl compound > carboxylic ester > amino-acid ester > alpha-amino acid ester > 2-[3-phenyl-7-(trifluoromethyl)-1-indazolyl]acetic acid methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > amino-acid ester > alpha-amino acid ester > 2-[3-phenyl-7-(trifluoromethyl)-1-indazolyl]acetic acid methyl ester

Preferred term

2-[3-phenyl-7-(trifluoromethyl)-1-indazolyl]acetic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C17H13F3N2O2

inchi

  • InChI=1S/C17H13F3N2O2/c1-24-14(23)10-22-16-12(8-5-9-13(16)17(18,19)20)15(21-22)11-6-3-2-4-7-11/h2-9H,10H2,1H3

inchikey

  • ITWSUCNDUBCJHY-UHFFFAOYSA-N

mass

  • 334.293

monoisotopicmass

  • 334.09291

smiles

  • COC(=O)CN1C2=C(C=CC=C2C(F)(F)F)C(=N1)C3=CC=CC=C3

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:92558

Download this concept:

RDF/XML TURTLE JSON-LD