1-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid

CAS Registry Number®

1004727-49-4
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CAS Name

1-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid

Molecular Formula

C7H6N6O4

Molecular Mass

238.16

Cite this Page

1-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-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=1004727-49-4 (retrieved 2024-09-11) (CAS RN: 1004727-49-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H6N6O4/c14-6(15)5-1-2-11(9-5)4-12-3-8-7(10-12)13(16)17/h1-3H,4H2,(H,14,15)

InChIKey

InChIKey=QENUOBGKWZSZQI-UHFFFAOYSA-N

SMILES

C(N1N=C(C(O)=O)C=C1)N2N=C(N(=O)=O)N=C2

Canonical SMILES

O=C(O)C1=NN(C=C1)CN2N=C(N=C2)N(=O)=O

Other Names for this Substance

  • 1H-Pyrazole-3-carboxylic acid, 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-
  • 1-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid