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Details

Stereochemistry ACHIRAL
Molecular Formula C20H21N5O6S
Molecular Weight 459.476
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-((2-Cyanoethyl)(4-((2-(methylsulfonyl)-4-nitrophenyl)azo)phenyl)amino)ethyl acetate

SMILES

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)\N=N\C2=CC=C(C=C2S(C)(=O)=O)[N+]([O-])=O

InChI

InChIKey=BBCMFXGIGGXVPH-GHVJWSGMSA-N
InChI=1S/C20H21N5O6S/c1-15(26)31-13-12-24(11-3-10-21)17-6-4-16(5-7-17)22-23-19-9-8-18(25(27)28)14-20(19)32(2,29)30/h4-9,14H,3,11-13H2,1-2H3/b23-22+

HIDE SMILES / InChI

Approval Year

Name Type Language
2-((2-Cyanoethyl)(4-((2-(methylsulfonyl)-4-nitrophenyl)azo)phenyl)amino)ethyl acetate
Systematic Name English
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]-
Systematic Name English
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-
Systematic Name English
3-[[2-(Acetyloxy)ethyl][4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]propanenitrile
Systematic Name English
Code System Code Type Description
PUBCHEM
113249
Created by admin on Sat Dec 16 12:24:16 GMT 2023 , Edited by admin on Sat Dec 16 12:24:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID7069867
Created by admin on Sat Dec 16 12:24:16 GMT 2023 , Edited by admin on Sat Dec 16 12:24:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
264-221-6
Created by admin on Sat Dec 16 12:24:16 GMT 2023 , Edited by admin on Sat Dec 16 12:24:16 GMT 2023
PRIMARY
FDA UNII
DZT65QQK5L
Created by admin on Sat Dec 16 12:24:16 GMT 2023 , Edited by admin on Sat Dec 16 12:24:16 GMT 2023
PRIMARY
CAS
63467-08-3
Created by admin on Sat Dec 16 12:24:16 GMT 2023 , Edited by admin on Sat Dec 16 12:24:16 GMT 2023
PRIMARY