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Details

Stereochemistry ACHIRAL
Molecular Formula C21H23ClN4O6
Molecular Weight 462.884
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-[[4-[(2-Chloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bisethyl diacetate

SMILES

CC(=O)OCCN(CCOC(C)=O)C1=CC(C)=C(C=C1)\N=N\C2=CC=C(C=C2Cl)[N+]([O-])=O

InChI

InChIKey=BDAQFSJXVZDVGC-WCWDXBQESA-N
InChI=1S/C21H23ClN4O6/c1-14-12-17(25(8-10-31-15(2)27)9-11-32-16(3)28)4-6-20(14)23-24-21-7-5-18(26(29)30)13-19(21)22/h4-7,12-13H,8-11H2,1-3H3/b24-23+

HIDE SMILES / InChI

Molecular Formula C21H23ClN4O6
Molecular Weight 462.884
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 11:57:36 GMT 2023
Edited
by admin
on Sat Dec 16 11:57:36 GMT 2023
Record UNII
3LR9TJ7ACT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2'-[[4-[(2-Chloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bisethyl diacetate
Systematic Name English
2-[N-(2-acetyloxyethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylanilino]ethylacetate
Systematic Name English
Ethanol, 2,2′-[4-(2-chloro-4-nitrophenylazo)-m-tolylimino]di-, diacetate
Systematic Name English
ETHANOL, 2,2'-((4-((2-CHLORO-4-NITROPHENYL)AZO)-3-METHYLPHENYL)IMINO)BIS-, DIACETATE (ESTER)
Common Name English
Ethanol, 2,2′-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl]imino]bis-, 1,1′-diacetate
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
270-217-5
Created by admin on Sat Dec 16 11:57:36 GMT 2023 , Edited by admin on Sat Dec 16 11:57:36 GMT 2023
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CAS
68413-42-3
Created by admin on Sat Dec 16 11:57:36 GMT 2023 , Edited by admin on Sat Dec 16 11:57:36 GMT 2023
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FDA UNII
3LR9TJ7ACT
Created by admin on Sat Dec 16 11:57:36 GMT 2023 , Edited by admin on Sat Dec 16 11:57:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID8071512
Created by admin on Sat Dec 16 11:57:36 GMT 2023 , Edited by admin on Sat Dec 16 11:57:36 GMT 2023
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