Basic information
- CAS
58785-18-5- Standard SMILES
CCOC(=O)C(=CNc1ccccc1-n1cccc1)C(=O)OCC- InChIKey
CCWDOZNHWALXGS-UHFFFAOYSA-N- Molecular formula
- C18H20N2O4
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.14230712
Names & identifiers
- Preferred name
- Diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate
- IUPAC
- diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate
Names & synonyms
diethyl 2-[(2-pyrrol-1-ylanilino)methylidene]propanedioate58785-18-5NSC338542DTXSID10319019CCWDOZNHWALXGS-UHFFFAOYSA-NCCG-234852NSC-338542diethyl [2-(pyrrol-1-yl)anilino]methylenemalonateDiethyl {[2-(1H-pyrrol-1-yl)anilino]methylidene}propanedioatediethyl ({[2-(1H-pyrrol-1-yl)phenyl]amino}methylidene)propanedioatepropanedioic acid, 2-[[[2-(1H-pyrrol-1-yl)phenyl]amino]methylene]-, diethyl ester
Database identifiers
- CAS
58785-18-5- PubChem CID
- 334161
- DTXSID
DTXSID10319019
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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