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Details

Stereochemistry ACHIRAL
Molecular Formula C21H23BrN6O5
Molecular Weight 519.349
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ACETAMIDE, N-(5-(BIS(2-METHOXYETHYL)AMINO)-2-((2-BROMO-6-CYANO-4-NITROPHENYL)AZO)PHENYL)-

SMILES

COCCN(CCOC)C1=CC=C(\N=N\C2=C(C=C(C=C2Br)[N+]([O-])=O)C#N)C(NC(C)=O)=C1

InChI

InChIKey=IMTYOCTYFKYQBZ-OCEACIFDSA-N
InChI=1S/C21H23BrN6O5/c1-14(29)24-20-12-16(27(6-8-32-2)7-9-33-3)4-5-19(20)25-26-21-15(13-23)10-17(28(30)31)11-18(21)22/h4-5,10-12H,6-9H2,1-3H3,(H,24,29)/b26-25+

HIDE SMILES / InChI

Molecular Formula C21H23BrN6O5
Molecular Weight 519.349
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 16:58:59 GMT 2023
Edited
by admin
on Sat Dec 16 16:58:59 GMT 2023
Record UNII
4MW2IQ3VKE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETAMIDE, N-(5-(BIS(2-METHOXYETHYL)AMINO)-2-((2-BROMO-6-CYANO-4-NITROPHENYL)AZO)PHENYL)-
Systematic Name English
N-(5-(BIS(2-METHOXYETHYL)AMINO)-2-(2-(2-BROMO-6-CYANO-4-NITROPHENYL)DIAZENYL)PHENYL)ACETAMIDE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
255-467-5
Created by admin on Sat Dec 16 16:58:59 GMT 2023 , Edited by admin on Sat Dec 16 16:58:59 GMT 2023
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CAS
41622-04-2
Created by admin on Sat Dec 16 16:58:59 GMT 2023 , Edited by admin on Sat Dec 16 16:58:59 GMT 2023
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FDA UNII
4MW2IQ3VKE
Created by admin on Sat Dec 16 16:58:59 GMT 2023 , Edited by admin on Sat Dec 16 16:58:59 GMT 2023
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PUBCHEM
170545
Created by admin on Sat Dec 16 16:58:59 GMT 2023 , Edited by admin on Sat Dec 16 16:58:59 GMT 2023
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EPA CompTox
DTXSID3068334
Created by admin on Sat Dec 16 16:58:59 GMT 2023 , Edited by admin on Sat Dec 16 16:58:59 GMT 2023
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