Basic information
- CAS
7596-13-6- Standard SMILES
COc1ccc(C(C#N)=C2C=CC(=NOC(=O)c3ccccc3)C=C2)cc1- InChIKey
WVCUSLPDWXMKAU-UHFFFAOYSA-N- Molecular formula
- C22H16N2O3
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.11609238
Names & identifiers
- Preferred name
- (2Z)-{(4Z)-4-[(Benzoyloxy)imino]cyclohexa-2,5-dien-1-ylidene}(4-methoxyphenyl)acetonitrile
- IUPAC
- [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate
Names & synonyms
7596-13-6NSC405906DTXSID90324161NSC-405906(2Z)-{(4Z)-4-[(Benzoyloxy)imino]cyclohexa-2,5-dien-1-ylidene}(4-methoxyphenyl)acetonitrile
Database identifiers
- CAS
7596-13-6- PubChem CID
- 347301
- DTXSID
DTXSID90324161
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 71.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 691
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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