Basic information
- Standard SMILES
CC1(C)OCc2cc(C3CN(CCCCCCOCCOCc4cccc([N+](=O)[O-])c4)C(=O)O3)ccc2O1- InChIKey
JQVLCCXVUDVZAP-UHFFFAOYSA-N- Molecular formula
- C28H36N2O8
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.24716611
Names & identifiers
- Preferred name
- 5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-3-{6-[2-{(3-nitrophenyl)-methoxy}ethoxy]hexyl}-1,3-oxazolidin-2-one
- IUPAC
- 5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[6-[2-[(3-nitrophenyl)methoxy]ethoxy]hexyl]-1,3-oxazolidin-2-one
Names & synonyms
JQVLCCXVUDVZAP-UHFFFAOYSA-N5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-3-{6-[2-{(3-nitrophenyl)-methoxy}ethoxy]hexyl}-1,3-oxazolidin-2-one
Database identifiers
- PubChem CID
- 75215614
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 760
Related reactions
5 records
Compound notes
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