Basic information
- CAS
5678-58-0- Standard SMILES
COc1ccc(-n2c(C)cc(C(=O)COc3ccc([N+](=O)[O-])cc3)c2C)cc1- InChIKey
URBKATBGJZKKGZ-UHFFFAOYSA-N- Molecular formula
- C21H20N2O5
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.13722174
Names & identifiers
- Preferred name
- 1-[1-(4-Methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-nitrophenoxy)ethanone
- IUPAC
- 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-nitrophenoxy)ethanone
Names & synonyms
5678-58-0AC1NQZB2DTXSID204138151-[1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-nitrophenoxy)ethan-1-one
Database identifiers
- CAS
5678-58-0- PubChem CID
- 5258366
- DTXSID
DTXSID20413815
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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