Basic information
- Standard SMILES
CCOC(=O)C(Cc1c(OC)cccc1[N+](=O)[O-])(NC(C)=O)C(=O)OCC- InChIKey
VCKNEIQTEIARGO-UHFFFAOYSA-N- Molecular formula
- C17H22N2O8
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.13761566
Names & identifiers
- Preferred name
- Diethyl 2-acetylamino-2-(2-methoxy-6-nitrobenzyl)malonate
- IUPAC
- diethyl 2-acetamido-2-[(2-methoxy-6-nitrophenyl)methyl]propanedioate
Names & synonyms
SCHEMBL4795832VCKNEIQTEIARGO-UHFFFAOYSA-Ndiethyl 2-acetylamino-2-(2-methoxy-6-nitrobenzyl)malonate
Database identifiers
- PubChem CID
- 21974615
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Related reactions
4 records
Compound notes
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