Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1- InChIKey
WJHAPDZQBIIGMD-UHFFFAOYSA-N- Molecular formula
- C18H14N2O8
- Average molar mass
- 386.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]isoxazole-3-carboxylate
- IUPAC
- ethyl 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-1,2-oxazole-3-carboxylate
Names & synonyms
SCHEMBL656790WJHAPDZQBIIGMD-UHFFFAOYSA-NEthyl 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]isoxazole-3-carboxylate
Database identifiers
- PubChem CID
- 136349751
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 548
Related reactions
1 records
Compound notes
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