[2-Ethoxy-4-[[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
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Basic information
- CAS
352338-64-8- Standard SMILES
CCOc1cc(C=C2N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O- InChIKey
GEXGVZKQULEQLC-UHFFFAOYSA-N- Molecular formula
- C21H18N2O7
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.11140092
Names & identifiers
- Preferred name
- [2-Ethoxy-4-[[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
- IUPAC
- [2-ethoxy-4-[[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
- English name
- 2-ethoxy-4-[(2-{3-nitro-4-methylphenyl}-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl acetate
- Molecular formula
- C21H18N2O7
- Molecular weight
- 410.38
Names & synonyms
2-ethoxy-4-[(2-{3-nitro-4-methylphenyl}-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl acetate
Database identifiers
- CAS
352338-64-8- PubChem CID
- 1040454
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 742
Physicochemical properties
- Boiling point
- 535.915 · 535.915±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.339 · 1.339±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.827 · -0.827±0.20(predicted)
Related reactions
0 records
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Compound notes
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