Basic information
- CAS
61588-01-0- Standard SMILES
O=C1ON=C(c2ccccc2)C1=Cc1ccc([N+](=O)[O-])cc1- InChIKey
XOUNNAOZWAJRED-UHFFFAOYSA-N- Molecular formula
- C16H10N2O4
- Average molar mass
- 294.26 g/mol
- Monoisotopic mass
- 294.0640568
Names & identifiers
- Preferred name
- 5(4H)-Isoxazolone, 4-[(4-nitrophenyl)methylene]-3-phenyl-, (Z)-
- IUPAC
- 4-[(4-nitrophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
Names & synonyms
4-[(4-Nitrophenyl)methylidene]-3-phenyl-1,2-oxazol-5(4H)-oneDTXSID903504405(4H)-Isoxazolone, 4-[(4-nitrophenyl)methylene]-3-phenyl-, (Z)-
Database identifiers
- CAS
61588-01-0- PubChem CID
- 679366
- DTXSID
DTXSID90350440
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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