Basic information
- CAS
7509-92-4- Standard SMILES
N#CC(=C1C=CC(=NOC(=O)Nc2ccccc2)C=C1)c1ccccc1- InChIKey
XYYNNGCBYIANQF-UHFFFAOYSA-N- Molecular formula
- C21H15N3O2
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.11642673
Names & identifiers
- Preferred name
- [[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] N-phenylcarbamate
- IUPAC
- [[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] N-phenylcarbamate
Names & synonyms
7509-92-4NSC405907[[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] N-phenylcarbamateDTXSID50324162NSC-405907(2Z)-Phenyl[(4Z)-4-{[(phenylcarbamoyl)oxy]imino}cyclohexa-2,5-dien-1-ylidene]acetonitrile
Database identifiers
- CAS
7509-92-4- PubChem CID
- 347302
- DTXSID
DTXSID50324162
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 663
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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