2-Methoxyethyl N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-beta-alaninate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H23BrN6O9
Molecular Weight	583.346
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-Methoxyethyl N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-beta-alaninate

Structure Search

SMILES

COCCOC(=O)CCNC1=C(OC)C=C(\N=N\C2=C(Br)C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)C(NC(C)=O)=C1

InChI

InChIKey=ASPNMPVSOMVHRA-OCEACIFDSA-N

InChI=1S/C21H23BrN6O9/c1-12(29)24-15-10-17(23-5-4-20(30)37-7-6-35-2)19(36-3)11-16(15)25-26-21-14(22)8-13(27(31)32)9-18(21)28(33)34/h8-11,23H,4-7H2,1-3H3,(H,24,29)/b26-25+

HIDE SMILES / InChI

Molecular Formula	C21H23BrN6O9
Molecular Weight	583.346
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 17:54:09 GMT 2025` Edited by `admin` on `Tue Apr 01 17:54:09 GMT 2025`
Record UNII	P573C979CH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Methoxyethyl N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-beta-alaninate

Systematic Name

English

?-Alanine, N-[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-, 2-methoxyethyl ester

Preferred Name

English

2-methoxyethyl3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]propanoate

Systematic Name

English

?-Alanine, N-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-, 2-methoxyethyl ester

Common Name

English

N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-?-alanine 2-methoxyethyl ester

Common Name

English

Diazotized2,4-dinitro-6-bromoaniline coupled with 2-methoxy-5-acetylamino-N-[?-(??-methoxyethoxycarbonyl)ethyl]aniline

Systematic Name

English

Code System Code Type Description

CAS

6522-67-4

Created by admin on Tue Apr 01 17:54:09 GMT 2025 , Edited by admin on Tue Apr 01 17:54:09 GMT 2025

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FDA UNII

P573C979CH

Created by admin on Tue Apr 01 17:54:09 GMT 2025 , Edited by admin on Tue Apr 01 17:54:09 GMT 2025

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EPA CompTox

DTXSID9064398

Created by admin on Tue Apr 01 17:54:09 GMT 2025 , Edited by admin on Tue Apr 01 17:54:09 GMT 2025

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ECHA (EC/EINECS)

229-411-5

Created by admin on Tue Apr 01 17:54:09 GMT 2025 , Edited by admin on Tue Apr 01 17:54:09 GMT 2025

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