Basic information
- Standard SMILES
NC(=O)Cc1cc([N+](=O)[O-])ccc1C(=O)O- InChIKey
QGKSLMAAMIEXEL-UHFFFAOYSA-N- Molecular formula
- C9H8N2O5
- Average molar mass
- 224.17 g/mol
- Monoisotopic mass
- 224.04332136
Names & identifiers
- Preferred name
- 2-Carboxy-5-nitrobenzeneacetamide
- IUPAC
- 2-(2-amino-2-oxoethyl)-4-nitrobenzoic acid
Names & synonyms
943749-61-9SCHEMBL35751012-carboxy-5-nitrobenzeneacetamideQGKSLMAAMIEXEL-UHFFFAOYSA-NDB-1811182-(2-amino-2-oxoethyl)-4-nitrobenzoic acid
Database identifiers
- PubChem CID
- 59300036
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 312
Related reactions
2 records
Compound notes
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