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Molecule record

4-nitrobenzamide

C7H6N2O3

166.14 g/mol

Loading structure

Molecular properties

Formula
C7H6N2O3
Molar mass
166.14 g·mol−1
Exact mass
166.0378 Da
6
PubChem CID
12091

Functional groups

Amide
Aromatic ring
Nitro compound
Primary amine

Physical properties

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

Common names and synonyms

  • 210-613-7
  • 4-NITROBENZOIC ACID, AMIDE
  • 4-Nitrobenzamide, 98%
  • 4-nitro-benzamide
  • 619-80-7
  • 683NB4HAX7
  • AI3-01346
  • Benzamide, 4-nitro-
Show all 24 synonyms
  • Benzamide, p-nitro-
  • CHEMBL1483601
  • DTXCID002086
  • DTXSID8022086
  • EINECS 210-613-7
  • MFCD00007994
  • NITROBENZAMIDE, P-
  • NSC 2902
  • RefChem:100039
  • SCHEMBL260727
  • SCHEMBL8480102
  • SCHEMBL893392
  • ZESWUEBPRPGMTP-UHFFFAOYSA-N
  • benzene, 1-carbamoyl-4-nitro-
  • p-Nitrobenzamide
  • p-Nitrobenzamide, 98%

Structure identifiers

Canonical SMILES
NC(=O)c1ccc([N+](=O)[O-])cc1
Isomeric SMILES
C1=CC(=CC=C1C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)
InChIKey
ZESWUEBPRPGMTP-UHFFFAOYSA-N
PubChem CID
12091

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 4-nitrobenzamide; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitrobenzamide; 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