ChemArche
Sign inAccount

Molecule record

2-nitro-1H-imidazole

C3H3N3O2

113.08 g/mol

Loading structure

Molecular properties

Formula
C3H3N3O2
Molar mass
113.08 g·mol−1
Exact mass
113.0225 Da
4
PubChem CID
10701

Functional groups

Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1H-Imidazole, 2-nitro-
  • 2-Nitroimidazol
  • 2-Nitroimidazole
  • 2-nitro-imidazole
  • 208-425-5
  • 36877-68-6
  • 527-73-1
  • Amicin
Show all 24 synonyms
  • Azomycin
  • Azomycin [MI]
  • BRN 0116444
  • CHEBI:67135
  • DTXCID6041260
  • DTXSID7060178
  • EINECS 208-425-5
  • Imidazole, 2-nitro-
  • K8E96XL55D
  • MFCD00005185
  • NSC-105831
  • NSC105831
  • Nitroimidazoles
  • RefChem:88725
  • Ro 05-9129
  • nitroimidazole

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1ncc[nH]1
Isomeric SMILES
C1=CN=C(N1)[N+](=O)[O-]
InChI
InChI=1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)
InChIKey
YZEUHQHUFTYLPH-UHFFFAOYSA-N
PubChem CID
10701

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-nitro-1H-imidazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-nitro-1H-imidazole; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record