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Details

Stereochemistry ACHIRAL
Molecular Formula C14H17NO6
Molecular Weight 295.2879
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Diethyl 2-(2-nitrobenzyl)malonate

SMILES

CCOC(=O)C(CC1=C(C=CC=C1)[N+]([O-])=O)C(=O)OCC

InChI

InChIKey=XKWHIUXRQYXRSG-UHFFFAOYSA-N
InChI=1S/C14H17NO6/c1-3-20-13(16)11(14(17)21-4-2)9-10-7-5-6-8-12(10)15(18)19/h5-8,11H,3-4,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H17NO6
Molecular Weight 295.2879
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 Sat Dec 16 13:00:18 GMT 2023
Edited
by admin
on Sat Dec 16 13:00:18 GMT 2023
Record UNII
LAU4ZRJ39E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Diethyl 2-(2-nitrobenzyl)malonate
Systematic Name English
NSC-211482
Code English
Diethyl o-nitrobenzylmalonate
Systematic Name English
Propanedioic acid, [(2-nitrophenyl)methyl]-, diethyl ester
Systematic Name English
Propanedioic acid, 2-[(2-nitrophenyl)methyl]-, 1,3-diethyl ester
Systematic Name English
Diethyl 2-(2-(hydroxy(oxido)amino)benzyl)malonate
Systematic Name English
1,3-Diethyl 2-[(2-nitrophenyl)methyl]propanedioate
Systematic Name English
Code System Code Type Description
CAS
59803-35-9
Created by admin on Sat Dec 16 13:00:18 GMT 2023 , Edited by admin on Sat Dec 16 13:00:18 GMT 2023
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EPA CompTox
DTXSID40208543
Created by admin on Sat Dec 16 13:00:18 GMT 2023 , Edited by admin on Sat Dec 16 13:00:18 GMT 2023
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PUBCHEM
309274
Created by admin on Sat Dec 16 13:00:18 GMT 2023 , Edited by admin on Sat Dec 16 13:00:18 GMT 2023
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FDA UNII
LAU4ZRJ39E
Created by admin on Sat Dec 16 13:00:18 GMT 2023 , Edited by admin on Sat Dec 16 13:00:18 GMT 2023
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NSC
211482
Created by admin on Sat Dec 16 13:00:18 GMT 2023 , Edited by admin on Sat Dec 16 13:00:18 GMT 2023
PRIMARY