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Details

Stereochemistry ACHIRAL
Molecular Formula C18H17IN6O3
Molecular Weight 492.2705
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-[2-[(2-cyano-6-iodo-4-nitrophenyl)azo]-5-(dimethylamino)phenyl]propionamide

SMILES

CCC(=O)NC1=CC(=CC=C1\N=N\C2=C(C=C(C=C2I)[N+]([O-])=O)C#N)N(C)C

InChI

InChIKey=WPPWYKPFBBRQQI-GHVJWSGMSA-N
InChI=1S/C18H17IN6O3/c1-4-17(26)21-16-9-12(24(2)3)5-6-15(16)22-23-18-11(10-20)7-13(25(27)28)8-14(18)19/h5-9H,4H2,1-3H3,(H,21,26)/b23-22+

HIDE SMILES / InChI

Molecular Formula C18H17IN6O3
Molecular Weight 492.2705
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 12:09:16 GMT 2023
Edited
by admin
on Sat Dec 16 12:09:16 GMT 2023
Record UNII
4C2334K79S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[2-[(2-cyano-6-iodo-4-nitrophenyl)azo]-5-(dimethylamino)phenyl]propionamide
Systematic Name English
Propanamide, N-[2-[(2-cyano-6-iodo-4-nitrophenyl)azo]-5-(dimethylamino)phenyl]-
Systematic Name English
Propanamide, N-[2-[2-(2-cyano-6-iodo-4-nitrophenyl)diazenyl]-5-(dimethylamino)phenyl]-
Systematic Name English
N-[2-[2-(2-Cyano-6-iodo-4-nitrophenyl)diazenyl]-5-(dimethylamino)phenyl]propanamide
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
268-751-9
Created by admin on Sat Dec 16 12:09:16 GMT 2023 , Edited by admin on Sat Dec 16 12:09:16 GMT 2023
PRIMARY
CAS
68134-39-4
Created by admin on Sat Dec 16 12:09:16 GMT 2023 , Edited by admin on Sat Dec 16 12:09:16 GMT 2023
PRIMARY
FDA UNII
4C2334K79S
Created by admin on Sat Dec 16 12:09:16 GMT 2023 , Edited by admin on Sat Dec 16 12:09:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID6071164
Created by admin on Sat Dec 16 12:09:16 GMT 2023 , Edited by admin on Sat Dec 16 12:09:16 GMT 2023
PRIMARY