4-O-methyl 1-O-(4-nitrophenyl) 2-(phenylmethoxycarbonylamino)butanedioate
Basic information
- CAS
3304-57-2- Standard SMILES
COC(=O)CC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
JEIMHXFAMSWVSI-UHFFFAOYSA-N- Molecular formula
- C19H18N2O8
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.10631554
Names & identifiers
- Preferred name
- 4-O-methyl 1-O-(4-nitrophenyl) 2-(phenylmethoxycarbonylamino)butanedioate
- IUPAC
- 4-O-methyl 1-O-(4-nitrophenyl) 2-(phenylmethoxycarbonylamino)butanedioate
Names & synonyms
NSC118438NSC-1184383304-57-2
Database identifiers
- CAS
3304-57-2- PubChem CID
- 273301
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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