Basic information
- CAS
32344-32-4- Standard SMILES
O=C(O)C=CC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1- InChIKey
OANIMKUEUXMPBZ-UHFFFAOYSA-N- Molecular formula
- C15H14Cl2N2O8
- Average molar mass
- 421.2 g/mol
- Monoisotopic mass
- 420.0127208
Names & identifiers
- Preferred name
- 2-Butenedioic acid (2Z)-, mono[(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester
- IUPAC
- 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobut-2-enoic acid
Names & synonyms
DTXSID7011107102-Butenedioic acid (2Z)-, mono[(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester32344-32-4
Database identifiers
- CAS
32344-32-4- PubChem CID
- 165367643
- DTXSID
DTXSID701110710
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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