Molecular properties
- Formula
- C8H5N3O2
- Molar mass
- 175.15 g·mol−1
- Exact mass
- 175.0382 Da
- 8
- PubChem CID
- 101723956
Molecule record
4-nitrocinnoline
C8H5N3O2
175.15 g/mol
Loading structure
Functional groups
Aromatic ring
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
No synonyms are recorded for this molecule.
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1cnnc2ccccc12
- Isomeric SMILES
- C1=CC=C2C(=C1)C(=CN=N2)[N+](=O)[O-]
- InChI
- InChI=1S/C8H5N3O2/c12-11(13)8-5-9-10-7-4-2-1-3-6(7)8/h1-5H
- InChIKey
- CDGMLTDYJYUSMS-UHFFFAOYSA-N
- PubChem CID
- 101723956
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 4-nitrocinnoline; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-nitrocinnoline; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.