Basic information
- Standard SMILES
O=C(O)CC(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O- InChIKey
MBASXFQCVKKBGH-UHFFFAOYSA-N- Molecular formula
- C11H11N3O7
- Average molar mass
- 297.22 g/mol
- Monoisotopic mass
- 297.0596997
Names & identifiers
- Preferred name
- 2-[(4-Nitrophenyl)carbamoylamino]butanedioic acid
- IUPAC
- 2-[(4-nitrophenyl)carbamoylamino]butanedioic acid
Names & synonyms
AKOS020212680
Database identifiers
- PubChem CID
- 20215786
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 426
Related reactions
2 records
Compound notes
Loading…