Basic information
- Standard SMILES
CCOC(=O)c1cc(OCc2cccc([N+](=O)[O-])c2)cc(Oc2ccc(C#N)cc2)c1- InChIKey
TVPKJUYXOJOUGV-UHFFFAOYSA-N- Molecular formula
- C23H18N2O6
- Average molar mass
- 418.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-Cyanophenoxy)-5-(3-nitrobenzyloxy)benzoic acid ethyl ester
- IUPAC
- ethyl 3-(4-cyanophenoxy)-5-[(3-nitrophenyl)methoxy]benzoate
Names & synonyms
SCHEMBL851518TVPKJUYXOJOUGV-UHFFFAOYSA-N3-(4-Cyano phenoxy)-5-(3-nitro benzyloxy)benzoic Acid Ethyl Ester3-(4-Cyanophenoxy)-5-(3-nitrobenzyloxy)benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 66818591
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 648
Related reactions
1 records
Compound notes
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