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Details

Stereochemistry ACHIRAL
Molecular Formula C22H21N3O2
Molecular Weight 359.421
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[[4-[[2-(Benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]propanedinitrile

SMILES

CCN(CCOC(=O)C1=CC=CC=C1)C2=CC(C)=C(C=C(C#N)C#N)C=C2

InChI

InChIKey=WKTUAHDEZZJAIH-UHFFFAOYSA-N
InChI=1S/C22H21N3O2/c1-3-25(11-12-27-22(26)19-7-5-4-6-8-19)21-10-9-20(17(2)13-21)14-18(15-23)16-24/h4-10,13-14H,3,11-12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C22H21N3O2
Molecular Weight 359.421
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 12:13:53 GMT 2023
Edited
by admin
on Sat Dec 16 12:13:53 GMT 2023
Record UNII
NF9RSM79TP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[4-[[2-(Benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]propanedinitrile
Systematic Name English
Malononitrile, [4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzylidene]-, benzoate
Systematic Name English
Propanedinitrile, 2-[[4-[[2-(benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]-
Systematic Name English
Propanedinitrile, [[4-[[2-(benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]-
Systematic Name English
Code System Code Type Description
PUBCHEM
81189
Created by admin on Sat Dec 16 12:13:53 GMT 2023 , Edited by admin on Sat Dec 16 12:13:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID1064453
Created by admin on Sat Dec 16 12:13:53 GMT 2023 , Edited by admin on Sat Dec 16 12:13:53 GMT 2023
PRIMARY
CAS
6684-20-4
Created by admin on Sat Dec 16 12:13:53 GMT 2023 , Edited by admin on Sat Dec 16 12:13:53 GMT 2023
PRIMARY
FDA UNII
NF9RSM79TP
Created by admin on Sat Dec 16 12:13:53 GMT 2023 , Edited by admin on Sat Dec 16 12:13:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-727-3
Created by admin on Sat Dec 16 12:13:53 GMT 2023 , Edited by admin on Sat Dec 16 12:13:53 GMT 2023
PRIMARY