Basic information
- Standard SMILES
C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
WFLFBPAGRUBZDD-KDOFPFPSSA-N- Molecular formula
- C20H20N2O6
- Average molar mass
- 384.4 g/mol
Names & identifiers
- Preferred name
- Phenylmethyl(cis)-3-methyl-4-{[(4-nitrophenyl)carbonyl]oxy}-1-pyrrolidinecarboxylate
- IUPAC
- benzyl (3R,4R)-3-methyl-4-(4-nitrobenzoyl)oxypyrrolidine-1-carboxylate
Names & synonyms
WFLFBPAGRUBZDD-KDOFPFPSSA-Nphenylmethyl (cis)-3-methyl-4-{[(4-nitrophenyl)carbonyl]oxy}-1-pyrrolidinecarboxylatephenylmethyl(cis)-3-methyl-4-{[(4-nitrophenyl)carbonyl]oxy}-1-pyrrolidinecarboxylate
Database identifiers
- PubChem CID
- 86636955
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 564
Related reactions
1 records
Compound notes
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