Ethyl 5-[3-(acetylamino)-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]-9-oxo-2,8,10-trioxa-5-azadodecanoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H26N6O9S
Molecular Weight	538.531
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 5-[3-(acetylamino)-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]-9-oxo-2,8,10-trioxa-5-azadodecanoate

Structure Search

SMILES

CCOC(=O)OCCN(CCOC(=O)OCC)C1=CC(NC(C)=O)=C(C=C1)\N=N\C2=NC=C(S2)[N+]([O-])=O

InChI

InChIKey=PXARMKRMYSIPIY-OCOZRVBESA-N

InChI=1S/C21H26N6O9S/c1-4-33-20(29)35-10-8-26(9-11-36-21(30)34-5-2)15-6-7-16(17(12-15)23-14(3)28)24-25-19-22-13-18(37-19)27(31)32/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,23,28)/b25-24+

HIDE SMILES / InChI

Molecular Formula	C21H26N6O9S
Molecular Weight	538.531
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 `Tue Apr 01 17:52:35 GMT 2025` Edited by `admin` on `Tue Apr 01 17:52:35 GMT 2025`
Record UNII	GND7VUY34H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl 5-[3-(acetylamino)-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]-9-oxo-2,8,10-trioxa-5-azadodecanoate

Systematic Name

English

2,8,10-Trioxa-5-azadodecanoic acid, 5-[3-(acetylamino)-4-[(5-nitro-2-thiazolyl)azo]phenyl]-9-oxo-, ethyl ester

Preferred Name

English

2,8,10-Trioxa-5-azadodecanoic acid, 5-[3-(acetylamino)-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]-9-oxo-, ethyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID5072729