N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide
Basic information
- CAS
94295-87-1- Standard SMILES
CCOC(CN(Cc1ccccc1)C(=O)c1cccc(O)c1[N+](=O)[O-])OCC- InChIKey
NEJUTXDMUZSAGN-UHFFFAOYSA-N- Molecular formula
- C20H24N2O6
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.16343649
Names & identifiers
- Preferred name
- N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide
- IUPAC
- N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide
Names & synonyms
94295-87-1N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamideNSC343681DTXSID70319313NSC-343681DS-001778Benzamide,n-(2,2-diethoxyethyl)-3-hydroxy-2-nitro-n-(phenylmethyl)-
Database identifiers
- CAS
94295-87-1- PubChem CID
- 335227
- DTXSID
DTXSID70319313
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 486
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Compound notes
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