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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16N2O5
Molecular Weight 280.2765
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (2E)-1-(4,5-Dimethoxy-2-nitrophenyl)-3-(dimethylamino)-2-propen-1-one

SMILES

COC1=C(OC)C=C(C(=C1)C(=O)\C=C\N(C)C)[N+]([O-])=O

InChI

InChIKey=VWORKLFBRGPOEJ-AATRIKPKSA-N
InChI=1S/C13H16N2O5/c1-14(2)6-5-11(16)9-7-12(19-3)13(20-4)8-10(9)15(17)18/h5-8H,1-4H3/b6-5+

HIDE SMILES / InChI

Molecular Formula C13H16N2O5
Molecular Weight 280.2765
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 20:05:33 GMT 2025
Edited
by admin
on Wed Apr 02 20:05:33 GMT 2025
Record UNII
3RPA5X7WB9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2E)-1-(4,5-Dimethoxy-2-nitrophenyl)-3-(dimethylamino)-2-propen-1-one
Systematic Name English
(E)-1-(4,5-dimethoxy-2-nitrophenyl)-3-(dimethylamino)prop-2-en-1-one
Preferred Name English
2-Propen-1-one, 1-(4,5-dimethoxy-2-nitrophenyl)-3-(dimethylamino)-, (2E)-
Systematic Name English
1-(4,5-Dimethoxy-2-nitrophenyl)-3-(dimethylamino)-2-propen-1-one
Systematic Name English
Code System Code Type Description
CAS
1293935-84-8
Created by admin on Wed Apr 02 20:05:34 GMT 2025 , Edited by admin on Wed Apr 02 20:05:34 GMT 2025
PRIMARY
CAS
2026623-70-9
Created by admin on Wed Apr 02 20:05:34 GMT 2025 , Edited by admin on Wed Apr 02 20:05:34 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
3RPA5X7WB9
Created by admin on Wed Apr 02 20:05:34 GMT 2025 , Edited by admin on Wed Apr 02 20:05:34 GMT 2025
PRIMARY
PUBCHEM
132518777
Created by admin on Wed Apr 02 20:05:34 GMT 2025 , Edited by admin on Wed Apr 02 20:05:34 GMT 2025
PRIMARY