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Molecule record

3-nitrocinnoline

C8H5N3O2

175.15 g/mol

Loading structure

Molecular properties

Formula
C8H5N3O2
Molar mass
175.15 g·mol−1
Exact mass
175.0382 Da
8
PubChem CID
230474

Functional groups

Aromatic ring
Nitro compound

Physical properties

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

Common names and synonyms

  • 21905-82-8
  • 3-nitro-cinnoline
  • Cinnoline, 3-nitro-
  • DS-001171
  • DTXCID90233466
  • DTXSID30282312
  • NSC-25399
  • NSC25399
Show all 10 synonyms
  • RefChem:281339
  • SCHEMBL11311982

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cc2ccccc2nn1
Isomeric SMILES
C1=CC=C2C(=C1)C=C(N=N2)[N+](=O)[O-]
InChI
InChI=1S/C8H5N3O2/c12-11(13)8-5-6-3-1-2-4-7(6)9-10-8/h1-5H
InChIKey
HYZQJOVSKFXLGC-UHFFFAOYSA-N
PubChem CID
230474

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 3-nitrocinnoline; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-nitrocinnoline; 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