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Details

Stereochemistry ACHIRAL
Molecular Formula C24H25BrCl2N6O10
Molecular Weight 708.3
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-[2-(2-chloroacetyl)oxyethyl]-2-ethoxyanilino]ethyl2-chloroacetate

SMILES

CCOC1=CC(\N=N\C2=C(C=C(C=C2Br)[N+]([O-])=O)[N+]([O-])=O)=C(NC(C)=O)C=C1N(CCOC(=O)CCl)CCOC(=O)CCl

InChI

InChIKey=KKRKAZCBHKJVEY-QVIHXGFCSA-N
InChI=1S/C24H25BrCl2N6O10/c1-3-41-21-11-18(29-30-24-16(25)8-15(32(37)38)9-20(24)33(39)40)17(28-14(2)34)10-19(21)31(4-6-42-22(35)12-26)5-7-43-23(36)13-27/h8-11H,3-7,12-13H2,1-2H3,(H,28,34)/b30-29+

HIDE SMILES / InChI

Molecular Formula C24H25BrCl2N6O10
Molecular Weight 708.3
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 19:36:51 GMT 2023
Edited
by admin
on Sat Dec 16 19:36:51 GMT 2023
Record UNII
KF2MBS3542
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-[2-(2-chloroacetyl)oxyethyl]-2-ethoxyanilino]ethyl2-chloroacetate
Systematic Name English
1,1′-[[[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl]imino]di-2,1-ethanediyl] bis(2-chloroacetate)
Systematic Name English
Acetic acid, 2-chloro-, 1,1′-[[[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl]imino]di-2,1-ethanediyl] ester
Common Name English
Acetic acid, chloro-, [[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl]imino]di-2,1-ethanediyl ester
Common Name English
((5-(Acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-ethoxyphenyl)imino)di-2,1-ethanediyl bis(chloroacetate)
Systematic Name English
Code System Code Type Description
CAS
85851-54-3
Created by admin on Sat Dec 16 19:36:51 GMT 2023 , Edited by admin on Sat Dec 16 19:36:51 GMT 2023
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FDA UNII
KF2MBS3542
Created by admin on Sat Dec 16 19:36:51 GMT 2023 , Edited by admin on Sat Dec 16 19:36:51 GMT 2023
PRIMARY
PUBCHEM
56842400
Created by admin on Sat Dec 16 19:36:51 GMT 2023 , Edited by admin on Sat Dec 16 19:36:51 GMT 2023
PRIMARY
ECHA (EC/EINECS)
288-614-7
Created by admin on Sat Dec 16 19:36:51 GMT 2023 , Edited by admin on Sat Dec 16 19:36:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID50235123
Created by admin on Sat Dec 16 19:36:51 GMT 2023 , Edited by admin on Sat Dec 16 19:36:51 GMT 2023
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