Molecular properties
- Formula
- C3H3N3O2
- Molar mass
- 113.08 g·mol−1
- Exact mass
- 113.0225 Da
- 4
- PubChem CID
- 18208
Molecule record
5-nitro-1H-imidazole
C3H3N3O2
113.08 g/mol
Loading structure
Functional groups
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 100214-79-7
- 1H-4-Nitroimidazole
- 1H-5-Nitroimidazole
- 1H-Imidazole, 4-nitro-
- 1H-Imidazole, 5-nitro-
- 221-224-7
- 3034-38-6
- 4(5)-Nitroimidazole
Show all 24 synonyms
- 4-NITRO-1H-IMIDAZOLE
- 4-Nitroimidazole
- 4-Nitroimidazole, 97%
- 4-nitro-3H-imidazole
- 5(4)-nitroimidazole
- 5-Nitroimidazole
- CHEBI:64635
- CL 205086 (9CI)
- DTXCID0038174
- DTXSID9062803
- Imidazole, 4-nitro-
- METRONIDAZOLE EP IMPURITY B
- MFCD00005196
- NSC-50359
- RefChem:525957
- Y8U32AZ5O7
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1cnc[nH]1
- Isomeric SMILES
- C1=C(NC=N1)[N+](=O)[O-]
- InChI
- InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)
- InChIKey
- VYDWQPKRHOGLPA-UHFFFAOYSA-N
- PubChem CID
- 18208
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 5-nitro-1H-imidazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 5-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.