Basic information
- CAS
7498-31-9- Standard SMILES
CCOC(=O)CCC(NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(=O)OCC- InChIKey
IPDKVDWCGQECOP-UHFFFAOYSA-N- Molecular formula
- C16H18F2N2O7
- Average molar mass
- 388.32 g/mol
- Monoisotopic mass
- 388.10820724
Names & identifiers
- Preferred name
- Diethyl 2-[(2,5-difluoro-4-nitrobenzoyl)amino]pentanedioate
- IUPAC
- diethyl 2-[(2,5-difluoro-4-nitrobenzoyl)amino]pentanedioate
Names & synonyms
7498-31-9NSC407426diethyl 2-[(2,5-difluoro-4-nitrobenzoyl)amino]pentanedioateDTXSID90324661NSC-407426Diethyl N-(2,5-difluoro-4-nitrobenzoyl)glutamate
Database identifiers
- CAS
7498-31-9- PubChem CID
- 348243
- DTXSID
DTXSID90324661
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…