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Basic information
- Standard SMILES
C=CC(=O)N1CC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C1- InChIKey
GFARQYQBWJLZMW-UHFFFAOYSA-N- Molecular formula
- C22H17N3O6
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.11173527
Names & identifiers
- Preferred name
- (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one
- IUPAC
- 3,5-bis[(4-nitrophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
Names & synonyms
(3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one3,5-bis[(4-nitrophenyl)methylidene]-1-prop-2-enoylpiperidin-4-oneb-AP15(NSC687852)1-Acryloyl-3,5-bis(4-nitrobenzylidene)piperidin-4-oneNCIMech_000722orb3172813SCHEMBL14798453NSC 687852;(3E,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)piperidin-4-oneVLX-1500s4920AKOS026750272SB17158
Show more names
NCI60_031716DB-105202NSC687852, >=98% (HPLC)
Database identifiers
- PubChem CID
- 390480
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 750
Related reactions
0 records
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Compound notes
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