Basic information
- Standard SMILES
CCOC(=O)CN(CC(=O)COC(C)=O)S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
QQMMQHDBCBRMMF-UHFFFAOYSA-N- Molecular formula
- C15H18N2O9S
- Average molar mass
- 402.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[(3-acetoxy-2-oxopropan-1-yl)(2-nitrobenzenesulfonyl)amino]acetate
- IUPAC
- ethyl 2-[(3-acetyloxy-2-oxopropyl)-(2-nitrophenyl)sulfonylamino]acetate
Names & synonyms
SCHEMBL6079310QQMMQHDBCBRMMF-UHFFFAOYSA-Nethyl 2-[(3-acetoxy-2-oxopropan-1-yl)(2-nitrobenzenesulfonyl)amino]acetate
Database identifiers
- PubChem CID
- 21922543
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 666
Related reactions
2 records
Compound notes
Loading…