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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10Cl2O3
Molecular Weight 273.112
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

COC(=O)C(=C\C1=C(Cl)C(Cl)=CC=C1)\C(C)=O

InChI

InChIKey=QQXPSPWWWCQBFM-RMKNXTFCSA-N
InChI=1S/C12H10Cl2O3/c1-7(15)9(12(16)17-2)6-8-4-3-5-10(13)11(8)14/h3-6H,1-2H3/b9-6+

HIDE SMILES / InChI

Molecular Formula C12H10Cl2O3
Molecular Weight 273.112
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 Sat Dec 16 20:00:07 GMT 2023
Edited
by admin
on Sat Dec 16 20:00:07 GMT 2023
Record UNII
P4N7V4TD4W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (2E)-2-[(2,3-dichlorophenyl)methylene]-3-oxobutanoate
Systematic Name English
Butanoic acid, 2-[(2,3-dichlorophenyl)methylene]-3-oxo-, methyl ester, (E)-
Systematic Name English
Butanoic acid, 2-[(2,3-dichlorophenyl)methylene]-3-oxo-, methyl ester, (2E)-
Systematic Name English
Code System Code Type Description
CAS
68064-70-0
Created by admin on Sat Dec 16 20:00:07 GMT 2023 , Edited by admin on Sat Dec 16 20:00:07 GMT 2023
PRIMARY
FDA UNII
P4N7V4TD4W
Created by admin on Sat Dec 16 20:00:07 GMT 2023 , Edited by admin on Sat Dec 16 20:00:07 GMT 2023
PRIMARY
PUBCHEM
11821770
Created by admin on Sat Dec 16 20:00:07 GMT 2023 , Edited by admin on Sat Dec 16 20:00:07 GMT 2023
PRIMARY