Basic information
- CAS
5845-08-9- Standard SMILES
Cc1ccc(OCC(=O)NN=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)c(C)c1- InChIKey
RJVWAZRQCHMGFB-UHFFFAOYSA-N- Molecular formula
- C21H20N4O4
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.14845513
Names & identifiers
- Preferred name
- 2-(2,4-dimethylphenoxy)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
- IUPAC
- 2-(2,4-dimethylphenoxy)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
Names & synonyms
5845-08-9DTXSID90973991(2,4-Dimethylphenoxy)-N-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}ethanehydrazonic acid2-(2,4-Dimethylphenoxy)-N-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}ethanehydrazonic acid
Database identifiers
- CAS
5845-08-9- PubChem CID
- 5220003
- DTXSID
DTXSID90973991
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…