1,1-Dimethylethyl 2,5-dihydro-1-(4-methylphenyl)-5-oxo-1H-1,2,4-triazole-3-carboxylate

CAS Registry Number®

1000574-75-3
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CAS Name

1,1-Dimethylethyl 2,5-dihydro-1-(4-methylphenyl)-5-oxo-1H-1,2,4-triazole-3-carboxylate

Molecular Formula

C14H17N3O3

Molecular Mass

275.30

Cite this Page

1,1-Dimethylethyl 2,5-dihydro-1-(4-methylphenyl)-5-oxo-1H-1,2,4-triazole-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1000574-75-3 (retrieved 2024-08-15) (CAS RN: 1000574-75-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H17N3O3/c1-9-5-7-10(8-6-9)17-13(19)15-11(16-17)12(18)20-14(2,3)4/h5-8H,1-4H3,(H,15,16,19)

InChIKey

InChIKey=YCDVPAVISFXYGH-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C(OC(C)(C)C)=O)N1)C2=CC=C(C)C=C2

Canonical SMILES

O=C(OC(C)(C)C)C1=NN(C(=O)N1)C2=CC=C(C=C2)C

Other Names for this Substance

  • 1H-1,2,4-Triazole-3-carboxylic acid, 2,5-dihydro-1-(4-methylphenyl)-5-oxo-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 2,5-dihydro-1-(4-methylphenyl)-5-oxo-1H-1,2,4-triazole-3-carboxylate