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Details

Stereochemistry ACHIRAL
Molecular Formula C23H20ClNO6
Molecular Weight 441.861
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 2-(o-chlorobenzylidene)-4-(2-phthalimidoethoxy)acetoacetate

SMILES

CCOC(=O)C(=CC1=CC=CC=C1Cl)C(=O)COCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChIKey=HIMWFGTVILLKOV-AQTBWJFISA-N
InChI=1S/C23H20ClNO6/c1-2-31-23(29)18(13-15-7-3-6-10-19(15)24)20(26)14-30-12-11-25-21(27)16-8-4-5-9-17(16)22(25)28/h3-10,13H,2,11-12,14H2,1H3/b18-13-

HIDE SMILES / InChI

Molecular Formula C23H20ClNO6
Molecular Weight 441.861
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:17:23 GMT 2025
Edited
by admin
on Wed Apr 02 17:17:23 GMT 2025
Record UNII
2A6UJ67VPS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Butanoic acid, 2-[(2-chlorophenyl)methylene]-4-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]-3-oxo-, ethyl ester
Preferred Name English
Ethyl 2-(o-chlorobenzylidene)-4-(2-phthalimidoethoxy)acetoacetate
Systematic Name English
Ethyl 2-(2-chlorobenzylidene)-4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate
Systematic Name English
Code System Code Type Description
CAS
400024-08-0
Created by admin on Wed Apr 02 17:17:23 GMT 2025 , Edited by admin on Wed Apr 02 17:17:23 GMT 2025
PRIMARY
FDA UNII
2A6UJ67VPS
Created by admin on Wed Apr 02 17:17:23 GMT 2025 , Edited by admin on Wed Apr 02 17:17:23 GMT 2025
PRIMARY
PUBCHEM
53879087
Created by admin on Wed Apr 02 17:17:23 GMT 2025 , Edited by admin on Wed Apr 02 17:17:23 GMT 2025
PRIMARY