Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)no1- InChIKey
WZFPZKCSNGEMJX-UHFFFAOYSA-N- Molecular formula
- C12H10N2O5
- Average molar mass
- 262.22 g/mol
Names & identifiers
- Preferred name
- 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
Names & synonyms
370848-42-33-(4-NITRO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID ETHYL ESTEREthyl 3-(4-nitrophenyl)isoxazole-5-carboxylateethyl 3-(4-nitrophenyl)-1,2-oxazole-5-carboxylateMFCD029994525-(4-NITRO-PHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTERSCHEMBL22967193-(4-Nitro-phenyl)-isoxazol-5-carboxylic acid ethyl esterWZFPZKCSNGEMJX-UHFFFAOYSA-NSTK640075AKOS005571571Ethyl 3-(4-nitrophenyl)isoxazole-5-c
Show more names
SB36872AS-93610SY491400DB-069487CS-0342629Ethyl3-(4-nitrophenyl)isoxazole-5-carboxylateG63512F737598
Database identifiers
- PubChem CID
- 949375
- Nikkaji
- J3.626.853K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
4 records
Compound notes
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