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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11NO5
Molecular Weight 249.2194
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate, (2E)-

SMILES

COC(=O)C(=C\C1=CC=CC(=C1)[N+]([O-])=O)\C(C)=O

InChI

InChIKey=LYUBYLJQOZIBQB-YRNVUSSQSA-N
InChI=1S/C12H11NO5/c1-8(14)11(12(15)18-2)7-9-4-3-5-10(6-9)13(16)17/h3-7H,1-2H3/b11-7+

HIDE SMILES / InChI

Molecular Formula C12H11NO5
Molecular Weight 249.2194
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 17:54:49 GMT 2025
Edited
by admin
on Wed Apr 02 17:54:49 GMT 2025
Record UNII
5FDJ5T4G75
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate, (2E)-
Systematic Name English
Butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, methyl ester, (E)-
Preferred Name English
Code System Code Type Description
CAS
118431-03-1
Created by admin on Wed Apr 02 17:54:49 GMT 2025 , Edited by admin on Wed Apr 02 17:54:49 GMT 2025
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FDA UNII
5FDJ5T4G75
Created by admin on Wed Apr 02 17:54:49 GMT 2025 , Edited by admin on Wed Apr 02 17:54:49 GMT 2025
PRIMARY
PUBCHEM
5463786
Created by admin on Wed Apr 02 17:54:49 GMT 2025 , Edited by admin on Wed Apr 02 17:54:49 GMT 2025
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