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Molecule record

3-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
12576

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

  • 211-431-0
  • 3-NITROBENZOIC ACID, AMIDE
  • 3-Nitro-benzamide
  • 3-Nitrobenzamide, 98%
  • 3-nitrophenylcarboxamide
  • 4-09-00-01061 (Beilstein Handbook Reference)
  • 645-09-0
  • BRN 0777185
Show all 24 synonyms
  • Benzamide, 3-nitro-
  • Benzamide, m-nitro-
  • CHEMBL338567
  • DTXCID605732
  • DTXSID5025732
  • EINECS 211-431-0
  • KMU7X7KT5T
  • KWAYEPXDGHYGRW-UHFFFAOYSA-N
  • M-NITROBENZAMIDE
  • MFCD00007984
  • NITROBENZAMIDE, M-
  • NSC 37327
  • NSC37327
  • Oprea1_317236
  • RefChem:95018
  • UNII-KMU7X7KT5T

Structure identifiers

Canonical SMILES
NC(=O)c1cccc([N+](=O)[O-])c1
Isomeric SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N
InChI
InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)
InChIKey
KWAYEPXDGHYGRW-UHFFFAOYSA-N
PubChem CID
12576

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-nitrobenzamide; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-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