Basic information
- CAS
54535-21-6- Standard SMILES
CCOC(=O)C(=CNCc1ccccc1)C(=O)OCC- InChIKey
JRWRTZSJZMSMGW-UHFFFAOYSA-N- Molecular formula
- C15H19NO4
- Average molar mass
- 277.31 g/mol
- Monoisotopic mass
- 277.13140809
Names & identifiers
- Preferred name
- Diethyl [(benzylamino)methylidene]propanedioate
- IUPAC
- diethyl 2-[(benzylamino)methylidene]propanedioate
Names & synonyms
54535-21-6NSC265448Diethyl [(benzylamino)methylidene]propanedioateSCHEMBL10861896DTXSID00312998NSC-265448diethyl phenylmethylamino-methylenemalonate
Database identifiers
- CAS
54535-21-6- PubChem CID
- 319844
- DTXSID
DTXSID00312998- Nikkaji
- J3.621.728F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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