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

CAS Registry Number®

162848-24-0
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CAS Name

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

Molecular Formula

C9H6N4O4

Molecular Mass

234.17

Cite this Page

3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=162848-24-0 (retrieved 2024-09-10) (CAS RN: 162848-24-0).  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)6-1-2-7(8(3-6)13(16)17)12-5-10-4-11-12/h1-5H,(H,14,15)

InChIKey

InChIKey=ZVCHVNGMLDMGIN-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(C=CC(C(O)=O)=C1)N2C=NC=N2

Canonical SMILES

O=C(O)C1=CC=C(C(=C1)N(=O)=O)N2N=CN=C2

Other Names for this Substance

  • Benzoic acid, 3-nitro-4-(1H-1,2,4-triazol-1-yl)-
  • 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid