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Details

Stereochemistry ACHIRAL
Molecular Formula C20H20ClN5O4
Molecular Weight 429.857
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-[4-[(2-Chloro-4-Nitrophenyl)azo]-n-(2-cyanoethyl)-3-methylanilino]ethyl acetate

SMILES

CC(=O)OCCN(CCC#N)C1=CC(C)=C(C=C1)\N=N\C2=C(Cl)C=C(C=C2)[N+]([O-])=O

InChI

InChIKey=WZEDCVQFYOBERE-WCWDXBQESA-N
InChI=1S/C20H20ClN5O4/c1-14-12-16(25(9-3-8-22)10-11-30-15(2)27)4-6-19(14)23-24-20-7-5-17(26(28)29)13-18(20)21/h4-7,12-13H,3,9-11H2,1-2H3/b24-23+

HIDE SMILES / InChI

Molecular Formula C20H20ClN5O4
Molecular Weight 429.857
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 12:12:31 GMT 2023
Edited
by admin
on Sat Dec 16 12:12:31 GMT 2023
Record UNII
5QX2AJH9YB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[4-[(2-Chloro-4-Nitrophenyl)azo]-n-(2-cyanoethyl)-3-methylanilino]ethyl acetate
Systematic Name English
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]amino]-
Systematic Name English
3-[[2-(Acetyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
Systematic Name English
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
271-169-8
Created by admin on Sat Dec 16 12:12:31 GMT 2023 , Edited by admin on Sat Dec 16 12:12:31 GMT 2023
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CAS
68516-64-3
Created by admin on Sat Dec 16 12:12:31 GMT 2023 , Edited by admin on Sat Dec 16 12:12:31 GMT 2023
PRIMARY
FDA UNII
5QX2AJH9YB
Created by admin on Sat Dec 16 12:12:31 GMT 2023 , Edited by admin on Sat Dec 16 12:12:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID5071591
Created by admin on Sat Dec 16 12:12:31 GMT 2023 , Edited by admin on Sat Dec 16 12:12:31 GMT 2023
PRIMARY