4-Nitro-2-(4H-1,2,4-triazol-4-yl)benzoic acid

CAS Registry Number®

1017791-31-9

CAS Name

4-Nitro-2-(4H-1,2,4-triazol-4-yl)benzoic acid

Molecular Formula

C9H6N4O4

Molecular Mass

234.17

Cite this Page

4-Nitro-2-(4H-1,2,4-triazol-4-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1017791-31-9 (retrieved 2024-11-25) (CAS RN: 1017791-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H6N4O4/c14-9(15)7-2-1-6(13(16)17)3-8(7)12-4-10-11-5-12/h1-5H,(H,14,15)

InChIKey

InChIKey=SPYSHOYBTKCTJC-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C=C(N(=O)=O)C=C1)N2C=NN=C2

Canonical SMILES

O=C(O)C1=CC=C(C=C1N2C=NN=C2)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 4-nitro-2-(4H-1,2,4-triazol-4-yl)-
  • 4-Nitro-2-(4H-1,2,4-triazol-4-yl)benzoic acid

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