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Details

Stereochemistry ACHIRAL
Molecular Formula C14H14ClNO7
Molecular Weight 343.716
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Diethyl (2-chloro-5-nitrobenzoyl)malonate

SMILES

CCOC(=O)C(C(=O)OCC)C(=O)C1=CC(=CC=C1Cl)[N+]([O-])=O

InChI

InChIKey=DGWXMMOJNMGHRO-UHFFFAOYSA-N
InChI=1S/C14H14ClNO7/c1-3-22-13(18)11(14(19)23-4-2)12(17)9-7-8(16(20)21)5-6-10(9)15/h5-7,11H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H14ClNO7
Molecular Weight 343.716
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:26:33 GMT 2025
Edited
by admin
on Tue Apr 01 19:26:33 GMT 2025
Record UNII
VSR4V5G6CG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Diethyl (2-chloro-5-nitrobenzoyl)malonate
Systematic Name English
1,3-Diethyl 2-(2-chloro-5-nitrobenzoyl)propanedioate
Preferred Name English
Propanedioic acid, 2-(2-chloro-5-nitrobenzoyl)-, 1,3-diethyl ester
Systematic Name English
Propanedioic acid, (2-chloro-5-nitrobenzoyl)-, diethyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60240480
Created by admin on Tue Apr 01 19:26:33 GMT 2025 , Edited by admin on Tue Apr 01 19:26:33 GMT 2025
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PUBCHEM
3023496
Created by admin on Tue Apr 01 19:26:33 GMT 2025 , Edited by admin on Tue Apr 01 19:26:33 GMT 2025
PRIMARY
CAS
94088-68-3
Created by admin on Tue Apr 01 19:26:33 GMT 2025 , Edited by admin on Tue Apr 01 19:26:33 GMT 2025
PRIMARY
FDA UNII
VSR4V5G6CG
Created by admin on Tue Apr 01 19:26:33 GMT 2025 , Edited by admin on Tue Apr 01 19:26:33 GMT 2025
PRIMARY
ECHA (EC/EINECS)
302-070-0
Created by admin on Tue Apr 01 19:26:33 GMT 2025 , Edited by admin on Tue Apr 01 19:26:33 GMT 2025
PRIMARY