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Details

Stereochemistry ACHIRAL
Molecular Formula C23H22N4O4
Molecular Weight 418.4452
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-[ethyl[4-[azo]phenyl]amino]ethylbenzoate

SMILES

CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)\N=N\C3=CC=C(C=C3)[N+]([O-])=O

InChI

InChIKey=HFAUUNNJWQYWET-OCOZRVBESA-N
InChI=1S/C23H22N4O4/c1-2-26(16-17-31-23(28)18-6-4-3-5-7-18)21-12-8-19(9-13-21)24-25-20-10-14-22(15-11-20)27(29)30/h3-15H,2,16-17H2,1H3/b25-24+

HIDE SMILES / InChI

Molecular Formula C23H22N4O4
Molecular Weight 418.4452
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 19:51:26 GMT 2023
Edited
by admin
on Sat Dec 16 19:51:26 GMT 2023
Record UNII
MZJ7N89WJU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[ethyl[4-[azo]phenyl]amino]ethylbenzoate
Systematic Name English
2-[n-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl benzoate
Systematic Name English
Ethanol, 2-[ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-, 1-benzoate
Systematic Name English
Ethanol, 2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]-, benzoate (ester)
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID5068152
Created by admin on Sat Dec 16 19:51:26 GMT 2023 , Edited by admin on Sat Dec 16 19:51:26 GMT 2023
PRIMARY
CAS
38978-80-2
Created by admin on Sat Dec 16 19:51:26 GMT 2023 , Edited by admin on Sat Dec 16 19:51:26 GMT 2023
PRIMARY
ECHA (EC/EINECS)
254-232-4
Created by admin on Sat Dec 16 19:51:26 GMT 2023 , Edited by admin on Sat Dec 16 19:51:26 GMT 2023
PRIMARY
FDA UNII
MZJ7N89WJU
Created by admin on Sat Dec 16 19:51:26 GMT 2023 , Edited by admin on Sat Dec 16 19:51:26 GMT 2023
PRIMARY