Basic information
- Standard SMILES
COC(=O)c1ccc(/C=C/c2c(Cl)cc(CCC(=O)OC(C)(C)C)cc2Cl)c([N+](=O)[O-])c1- InChIKey
FGHXYRBVXOEZOV-CMDGGOBGSA-N- Molecular formula
- C23H23Cl2NO6
- Average molar mass
- 480.3 g/mol
Names & identifiers
- Preferred name
- 4-{(E)-2-[4-(2-tert-butoxycarbonylethyl)-2,6-dichlorophenyl]-vinyl}-3-nitrobenzoic acid methyl ester
- IUPAC
- methyl 4-[(E)-2-[2,6-dichloro-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethenyl]-3-nitrobenzoate
Names & synonyms
SCHEMBL1249161FGHXYRBVXOEZOV-CMDGGOBGSA-N4-{(E)-2-[4-(2-tert-butoxycarbonylethyl)-2,6-dichlorophenyl]-vinyl}-3-nitrobenzoic acid methyl ester
Database identifiers
- PubChem CID
- 66965271
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 690
Related reactions
1 records
Compound notes
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