3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester

HCID 949375

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

Related reactions

4 records

Compound notes

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