N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-[2-(acetyloxy)ethyl]-β-alanine methyl ester

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H25BrN6O10
Molecular Weight	625.383
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-[2-(acetyloxy)ethyl]-β-alanine methyl ester

Structure Search

SMILES

COC(=O)CCN(CCOC(C)=O)C1=CC(NC(C)=O)=C(C=C1OC)\N=N\C2=C(C=C(C=C2Br)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=YEPMXIKNGPVWRP-CYYJNZCTSA-N

InChI=1S/C23H25BrN6O10/c1-13(31)25-17-11-19(28(6-5-22(33)39-4)7-8-40-14(2)32)21(38-3)12-18(17)26-27-23-16(24)9-15(29(34)35)10-20(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)/b27-26+

HIDE SMILES / InChI

Molecular Formula	C23H25BrN6O10
Molecular Weight	625.383
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 12:24:49 GMT 2023` Edited by `admin` on `Sat Dec 16 12:24:49 GMT 2023`
Record UNII	3965LT2DT9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-[2-(acetyloxy)ethyl]-β-alanine methyl ester

Common Name

English

.BETA.-ALANINE, N-(5-(ACETYLAMINO)-4-((2-BROMO-4,6-DINITROPHENYL)AZO)-2-METHOXYPHENYL)-N-(2-(ACETYLOXY)ETHYL)-, METHYL ESTER

Common Name

English

methyl3-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]propanoate

Systematic Name

English

Code System Code Type Description

FDA UNII

3965LT2DT9

Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023

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CAS

67905-16-2

Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023

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ECHA (EC/EINECS)

267-635-5

Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023

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EPA CompTox

DTXSID9070797

Created by admin on Sat Dec 16 12:24:49 GMT 2023 , Edited by admin on Sat Dec 16 12:24:49 GMT 2023

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