Basic information
- Standard SMILES
N#CC(C=Cc1ccc(Cc2ccc(C=CC(C#N)=NO)cc2)cc1)=NO- InChIKey
MKMMAWBCRGVCEQ-UHFFFAOYSA-N- Molecular formula
- C21H16N4O2
- Average molar mass
- 356.4 g/mol
Names & identifiers
- Preferred name
- 4-{4-[4-(3-Cyano-3-hydroxyimino-propenyl)-benzyl]-phenyl}-2-hydroxyimino-but-3-enenitrile
- IUPAC
- 4-[4-[[4-(3-cyano-3-hydroxyiminoprop-1-enyl)phenyl]methyl]phenyl]-2-hydroxyiminobut-3-enenitrile
Names & synonyms
SCHEMBL6871314MKMMAWBCRGVCEQ-UHFFFAOYSA-N4-{4-[4-(3-cyano-3-hydroxyimino-propenyl)-benzyl]-phenyl}-2-hydroxyimino-but-3-enenitrile
Database identifiers
- PubChem CID
- 86759359
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 628
Related reactions
1 records
Compound notes
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