Basic information
- Standard SMILES
CCOC(=O)COc1cc(F)c(C#N)cc1C(=O)NCc1cccc([N+](=O)[O-])c1- InChIKey
GAOLOQCSMNEVHA-UHFFFAOYSA-N- Molecular formula
- C19H16FN3O6
- Average molar mass
- 401.3 g/mol
Names & identifiers
- Preferred name
- [4-Cyano-5-fluoro-2-(3-nitro-benzylcarbamoyl)-phenoxy]-acetic acid ethyl ester
- IUPAC
- ethyl 2-[4-cyano-5-fluoro-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetate
Names & synonyms
SCHEMBL5467797GAOLOQCSMNEVHA-UHFFFAOYSA-N[4-cyano-5-fluoro-2-(3-nitro-benzylcarbamoyl)-phenoxy]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 69453025
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 646
Related reactions
3 records
Compound notes
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