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Details

Stereochemistry ACHIRAL
Molecular Formula C23H17Cl2N3O5
Molecular Weight 486.304
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-{2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyridazin-1-yl]ethoxy}-4-oxobutanoic acid

SMILES

OC(=O)CCC(=O)OCCN1N=C(C2=CC=C(Cl)C=C2)C(C3=CC=C(Cl)C=C3)=C(C#N)C1=O

InChI

InChIKey=AKJTWZYTVPZSDW-UHFFFAOYSA-N
InChI=1S/C23H17Cl2N3O5/c24-16-5-1-14(2-6-16)21-18(13-26)23(32)28(11-12-33-20(31)10-9-19(29)30)27-22(21)15-3-7-17(25)8-4-15/h1-8H,9-12H2,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C23H17Cl2N3O5
Molecular Weight 486.304
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 12:54:58 GMT 2023
Edited
by admin
on Sat Dec 16 12:54:58 GMT 2023
Record UNII
GNW6DR95PC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-{2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyridazin-1-yl]ethoxy}-4-oxobutanoic acid
Systematic Name English
NSC-362453
Code English
BUTANEDIOIC ACID, MONO(2-(3,4-BIS(4-CHLOROPHENYL)-5-CYANO-6-OXO-1(6H)-PYRIDAZINYL)ETHYL) ESTER
Common Name English
1-[2-[3,4-Bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl]ethyl] butanedioate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10231646
Created by admin on Sat Dec 16 12:54:58 GMT 2023 , Edited by admin on Sat Dec 16 12:54:58 GMT 2023
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FDA UNII
GNW6DR95PC
Created by admin on Sat Dec 16 12:54:58 GMT 2023 , Edited by admin on Sat Dec 16 12:54:58 GMT 2023
PRIMARY
CAS
82232-19-7
Created by admin on Sat Dec 16 12:54:58 GMT 2023 , Edited by admin on Sat Dec 16 12:54:58 GMT 2023
PRIMARY
NSC
362453
Created by admin on Sat Dec 16 12:54:58 GMT 2023 , Edited by admin on Sat Dec 16 12:54:58 GMT 2023
PRIMARY
PUBCHEM
100760
Created by admin on Sat Dec 16 12:54:58 GMT 2023 , Edited by admin on Sat Dec 16 12:54:58 GMT 2023
PRIMARY