Basic information
- Standard SMILES
CCOC(=O)C=C(OC)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1- InChIKey
JSPAEZPPCZTWHP-UHFFFAOYSA-N- Molecular formula
- C21H20F3NO7
- Average molar mass
- 455.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[4-(2-nitro-4-trifluoromethylphenoxy)phenoxy]-3-methoxy-2-pentenoate
- IUPAC
- ethyl 3-methoxy-4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoate
Names & synonyms
ethyl 4-[4-(2-nitro-4-trifluoromethylphenoxy)phenoxy]-3-methoxy-2-pentenoateSCHEMBL10882652ethyl 4-[4-(2-nitro-4-trifluoromethylphenoxy) phenoxy]-3-methoxy-2-pentenoate
Database identifiers
- PubChem CID
- 53972465
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 657
Related reactions
5 records
Compound notes
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