I(2)-Oxo-3-phenyl-5-isoxazolepropanal 5-[O-[(4-nitrophenyl)methyl]oxime]
Basic information
- CAS
338393-49-0- Standard SMILES
O=C(CC=NOCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)no1- InChIKey
FYVVACJAZRBLSW-UHFFFAOYSA-N- Molecular formula
- C19H15N3O5
- Average molar mass
- 365.3 g/mol
- Monoisotopic mass
- 365.10117059
Names & identifiers
- Preferred name
- I(2)-Oxo-3-phenyl-5-isoxazolepropanal 5-[O-[(4-nitrophenyl)methyl]oxime]
- IUPAC
- 3-[(4-nitrophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
Names & synonyms
Bionet1_003451DTXSID801157113I(2)-Oxo-3-phenyl-5-isoxazolepropanal 5-[O-[(4-nitrophenyl)methyl]oxime]3-{[(4-Nitrophenyl)methoxy]imino}-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
Database identifiers
- CAS
338393-49-0- PubChem CID
- 3556579
- DTXSID
DTXSID801157113
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 522
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Compound notes
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