2-Amino-4-(2-nitrophenyl)-6-phenyl-4H-pyran-3,5-dicarbonitrile
Basic information
- CAS
67720-54-1- Standard SMILES
N#CC1=C(N)OC(c2ccccc2)=C(C#N)C1c1ccccc1[N+](=O)[O-]- InChIKey
LPFCLUAZZCGTGR-UHFFFAOYSA-N- Molecular formula
- C19H12N4O3
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.09094026
Names & identifiers
- Preferred name
- 2-Amino-4-(2-nitrophenyl)-6-phenyl-4H-pyran-3,5-dicarbonitrile
- IUPAC
- 2-amino-4-(2-nitrophenyl)-6-phenyl-4H-pyran-3,5-dicarbonitrile
Names & synonyms
2-amino-4-(2-nitrophenyl)-6-phenyl-4H-pyran-3,5-dicarbonitrile67720-54-1DTXSID20319267RefChem:255486DTXCID30270390NSC343218NSC-343218DS-008709
Database identifiers
- CAS
67720-54-1- PubChem CID
- 335074
- DTXSID
DTXSID20319267
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 740
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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