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Details

Stereochemistry ACHIRAL
Molecular Formula C26H29ClN8O8
Molecular Weight 617.01
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-[5-[Bis[2-(2-cyanoethoxy)ethyl]amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]propionamide

SMILES

CCC(=O)NC1=CC(N(CCOCCC#N)CCOCCC#N)=C(OC)C=C1\N=N\C2=C(C=C(C=C2Cl)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=DQUNXALCFQCDEO-QNEJGDQOSA-N
InChI=1S/C26H29ClN8O8/c1-3-25(36)30-20-16-22(33(8-12-42-10-4-6-28)9-13-43-11-5-7-29)24(41-2)17-21(20)31-32-26-19(27)14-18(34(37)38)15-23(26)35(39)40/h14-17H,3-5,8-13H2,1-2H3,(H,30,36)/b32-31+

HIDE SMILES / InChI

Molecular Formula C26H29ClN8O8
Molecular Weight 617.01
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 12:18:30 GMT 2023
Edited
by admin
on Sat Dec 16 12:18:30 GMT 2023
Record UNII
QU3DV892CQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[5-[Bis[2-(2-cyanoethoxy)ethyl]amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]propionamide
Systematic Name English
N-[5-[Bis[2-(2-cyanoethoxy)ethyl]amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]propanamide
Systematic Name English
Propanamide, N-[5-[bis[2-(2-cyanoethoxy)ethyl]amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]-
Systematic Name English
Propanamide, N-[5-[bis[2-(2-cyanoethoxy)ethyl]amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
266-450-7
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY
FDA UNII
QU3DV892CQ
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID7070470
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY
CAS
66693-26-3
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY