Basic information
- Standard SMILES
N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1- InChIKey
POEVWLKKORDNGA-AQHRCUNFSA-N- Molecular formula
- C19H15N3O3
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.11134135
Names & identifiers
- Preferred name
- (E,E)-2-(Benzylaminocarbonyl)-3-(4-nitrostyryl)acrylonitrile
- IUPAC
- (2E,4E)-N-benzyl-2-cyano-5-(4-nitrophenyl)penta-2,4-dienamide
Names & synonyms
SCHEMBL4485799POEVWLKKORDNGA-AQHRCUNFSA-N(E,E)-2-(Benzylaminocarbonyl)-3-(4-nitrostyryl)acrylonitrile
Database identifiers
- PubChem CID
- 9858847
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 568
Related reactions
2 records
Compound notes
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