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Details

Stereochemistry ACHIRAL
Molecular Formula C20H21ClN6O3
Molecular Weight 428.872
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Propanamide, 3-chloro-N-[2-[(2-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-

SMILES

CCN(CC)C1=CC=C(\N=N\C2=CC=C(C=C2C#N)[N+]([O-])=O)C(NC(=O)CCCl)=C1

InChI

InChIKey=DZCVQWOJMDITIP-OCOZRVBESA-N
InChI=1S/C20H21ClN6O3/c1-3-26(4-2)15-5-8-18(19(12-15)23-20(28)9-10-21)25-24-17-7-6-16(27(29)30)11-14(17)13-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,28)/b25-24+

HIDE SMILES / InChI

Molecular Formula C20H21ClN6O3
Molecular Weight 428.872
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 12:38:10 GMT 2023
Edited
by admin
on Sat Dec 16 12:38:10 GMT 2023
Record UNII
554KNX8JCL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Propanamide, 3-chloro-N-[2-[(2-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-
Systematic Name English
Propanamide, 3-chloro-N-[2-[2-(2-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]-
Systematic Name English
3-Chloro-N-[2-[2-(2-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]propanamide
Systematic Name English
Code System Code Type Description
FDA UNII
554KNX8JCL
Created by admin on Sat Dec 16 12:38:10 GMT 2023 , Edited by admin on Sat Dec 16 12:38:10 GMT 2023
PRIMARY
ECHA (EC/EINECS)
269-307-7
Created by admin on Sat Dec 16 12:38:10 GMT 2023 , Edited by admin on Sat Dec 16 12:38:10 GMT 2023
PRIMARY
PUBCHEM
109781
Created by admin on Sat Dec 16 12:38:10 GMT 2023 , Edited by admin on Sat Dec 16 12:38:10 GMT 2023
PRIMARY
CAS
68214-65-3
Created by admin on Sat Dec 16 12:38:10 GMT 2023 , Edited by admin on Sat Dec 16 12:38:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID9071260
Created by admin on Sat Dec 16 12:38:10 GMT 2023 , Edited by admin on Sat Dec 16 12:38:10 GMT 2023
PRIMARY