Basic information
- Standard SMILES
CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)noc1-c1ccccc1- InChIKey
CJBJYOTWIQACMW-UHFFFAOYSA-N- Molecular formula
- C18H14N2O5
- Average molar mass
- 338.3 g/mol
Names & identifiers
- Preferred name
- 3-(4-Nitro-phenyl)-5-phenyl-isoxazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-(4-nitrophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
Names & synonyms
1188080-18-33-(4-Nitro-phenyl)-5-phenyl-isoxazole-4-carboxylic acid ethyl esterSCHEMBL2296278CJBJYOTWIQACMW-UHFFFAOYSA-NDA-14838
Database identifiers
- PubChem CID
- 67353264
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Related reactions
2 records
Compound notes
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