Basic information
- Standard SMILES
CCOC(=O)COc1c(OC2CCCCO2)cccc1[N+](=O)[O-]- InChIKey
GGSLRCGXAQNFTH-UHFFFAOYSA-N- Molecular formula
- C15H19NO7
- Average molar mass
- 325.31 g/mol
Names & identifiers
- Preferred name
- 2-Ethoxycarbonylmethoxy-3-(tetrahydropyran-2-yloxy)-nitrobenzene
- IUPAC
- ethyl 2-[2-nitro-6-(oxan-2-yloxy)phenoxy]acetate
Names & synonyms
SCHEMBL11249881GGSLRCGXAQNFTH-UHFFFAOYSA-N2-ethoxycarbonylmethoxy-3-(tetrahydropyran-2-yloxy)-nitrobenzene
Database identifiers
- PubChem CID
- 12901517
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
Related reactions
3 records
Compound notes
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