U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H15NO6
Molecular Weight 293.272
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=LOCWJYNTNXWWBB-FMIVXFBMSA-N
InChI=1S/C14H15NO6/c1-10(16)12(14(17)21-8-7-20-2)9-11-5-3-4-6-13(11)15(18)19/h3-6,9H,7-8H2,1-2H3/b12-9+

HIDE SMILES / InChI

Molecular Formula C14H15NO6
Molecular Weight 293.272
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 20:23:50 GMT 2025
Edited
by admin
on Wed Apr 02 20:23:50 GMT 2025
Record UNII
Z5V3RZ2BBG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(E)-2-Methoxyethyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate
Systematic Name English
2-Methoxyethyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate
Preferred Name English
Butanoic acid, 2-[(2-nitrophenyl)methylene]-3-oxo-, 2-methoxyethyl ester, (E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
13592094
Created by admin on Wed Apr 02 20:23:50 GMT 2025 , Edited by admin on Wed Apr 02 20:23:50 GMT 2025
PRIMARY
CAS
100287-10-3
Created by admin on Wed Apr 02 20:23:50 GMT 2025 , Edited by admin on Wed Apr 02 20:23:50 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
118430-90-3
Created by admin on Wed Apr 02 20:23:50 GMT 2025 , Edited by admin on Wed Apr 02 20:23:50 GMT 2025
PRIMARY
FDA UNII
Z5V3RZ2BBG
Created by admin on Wed Apr 02 20:23:50 GMT 2025 , Edited by admin on Wed Apr 02 20:23:50 GMT 2025
PRIMARY