ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-(3-methoxyphenoxy)propanoate
Basic information
- CAS
7596-06-7- Standard SMILES
CCOC(=O)C(/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1cccc(OC)c1- InChIKey
JQSCPPQBDYRFTA-YBFXNURJSA-N- Molecular formula
- C18H18N4O8
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.11246355
Names & identifiers
- Preferred name
- ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-(3-methoxyphenoxy)propanoate
- IUPAC
- ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-(3-methoxyphenoxy)propanoate
Names & synonyms
NSC4081297596-06-7DTXSID80430447NSC-408129Ethyl (3E)-3-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-(3-methoxyphenoxy)propanoate
Database identifiers
- CAS
7596-06-7- PubChem CID
- 9569593
- DTXSID
DTXSID80430447
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…