Molecule ID: 78076

IUPAC Name: 5-acetamido-2-nitrobenzoic acid

Description: The molecule is an amidobenzoic acid that is benzoic acid substituted by an acetoamido group at position 5 and a nitro group at position 2 respectively. It is an amidobenzoic acid and a C-nitro compound.

SMILES: CC(O)=Nc1ccc([N+](=O)[O-])c(C(=O)O)c1

SELFIES: [C][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][N]

InChI: InChI=1S/C9H8N2O5/c1-5(12)10-6-2-3-8(11(15)16)7(4-6)9(13)14/h2-4H,1H3,(H,10,12)(H,13,14)

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 0.7