5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid

CAS Registry Number®

299405-25-7
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CAS Name

5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid

Molecular Formula

C6H6N4O6

Molecular Mass

230.13

Cite this Page

5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=299405-25-7 (retrieved 2024-09-02) (CAS RN: 299405-25-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H6N4O6/c1-3-5(9(13)14)6(10(15)16)7-8(3)2-4(11)12/h2H2,1H3,(H,11,12)

InChIKey

InChIKey=CIOCINHGDJSRDZ-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C(N(=O)=O)=C(C)N(CC(O)=O)N1

Canonical SMILES

O=C(O)CN1N=C(C(=C1C)N(=O)=O)N(=O)=O

Other Names for this Substance

  • 1H-Pyrazole-1-acetic acid, 5-methyl-3,4-dinitro-
  • 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid
  • (5-Methyl-3,4-dinitro-pyrazol-1-yl)-acetic acid
  • 2-(5-Methyl-3,4-dinitro-1H-pyrazol-1-yl)acetic acid
  • 2-(5-Methyl-3,4-dinitropyrazol-1-yl)acetic acid