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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > (trifluoromethyl)benzenes > 3-(trifluoromethyl)benzoic acid [[amino(2-pyrazinyl)methylidene]amino] ester

Preferred term

3-(trifluoromethyl)benzoic acid [[amino(2-pyrazinyl)methylidene]amino] ester  

Type

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

charge

  • 0

formula

  • C13H9F3N4O2

inchi

  • InChI=1S/C13H9F3N4O2/c14-13(15,16)9-3-1-2-8(6-9)12(21)22-20-11(17)10-7-18-4-5-19-10/h1-7H,(H2,17,20)

inchikey

  • ZPJIDLNAMTUWIW-UHFFFAOYSA-N

mass

  • 310.232

monoisotopicmass

  • 310.06776

smiles

  • C1=CC(=CC(=C1)C(F)(F)F)C(=O)ON=C(C2=NC=CN=C2)N

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107549

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