5-(1,1-Dimethylethyl)-1-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid

CAS Registry Number®

817172-32-0
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CAS Name

5-(1,1-Dimethylethyl)-1-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid

Molecular Formula

C14H15N3O4

Molecular Mass

289.29

Cite this Page

5-(1,1-Dimethylethyl)-1-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=817172-32-0 (retrieved 2024-08-02) (CAS RN: 817172-32-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H15N3O4/c1-14(2,3)12-8-11(13(18)19)15-16(12)9-4-6-10(7-5-9)17(20)21/h4-8H,1-3H3,(H,18,19)

InChIKey

InChIKey=MFOFKFVQHJRCSW-UHFFFAOYSA-N

SMILES

C(C)(C)(C)C=1N(N=C(C(O)=O)C1)C2=CC=C(N(=O)=O)C=C2

Canonical SMILES

O=C(O)C1=NN(C2=CC=C(C=C2)N(=O)=O)C(=C1)C(C)(C)C

Other Names for this Substance

  • 1H-Pyrazole-3-carboxylic acid, 5-(1,1-dimethylethyl)-1-(4-nitrophenyl)-
  • 5-(1,1-Dimethylethyl)-1-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid