Basic information
- Standard SMILES
CCCCc1nc(Cl)c(C=CC(=O)OCC)n1Cc1ccc([N+](=O)[O-])cc1- InChIKey
ATEPEPNKOGYYPU-UHFFFAOYSA-N- Molecular formula
- C19H22ClN3O4
- Average molar mass
- 391.8 g/mol
Names & identifiers
- Preferred name
- 3-[2-Butyl-4-chloro-1-(4-nitrobenzyl)imidazol-5-yl]propenoic acid ethyl ester
- IUPAC
- ethyl 3-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]prop-2-enoate
Names & synonyms
SCHEMBL910ATEPEPNKOGYYPU-UHFFFAOYSA-N3-[1-(4-nitrobenzyl)-2-butyl-4-chloroimidazol-5-yl]propenoic acid, ethyl ester3-[2-butyl-4-chloro-1-(4-nitrobenzyl)imidazol-5-yl]-propenoic acid ethyl ester3-[2-butyl-4-chloro-1-(4-nitrobenzyl)imidazol-5-yl]propenoic acid ethyl ester
Database identifiers
- PubChem CID
- 53660932
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 518
Related reactions
11 records
Compound notes
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