Ethyl 3-[3-acetamido-N-(3-ethoxy-3-oxopropyl)-4-[(4-nitrophenyl)diazenyl]anilino]propanoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H29N5O7
Molecular Weight	499.5164
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 3-[3-acetamido-N-(3-ethoxy-3-oxopropyl)-4-[(4-nitrophenyl)diazenyl]anilino]propanoate

Structure Search

SMILES

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

InChI

InChIKey=KJVPJFKGDOKNJC-CYYJNZCTSA-N

InChI=1S/C24H29N5O7/c1-4-35-23(31)12-14-28(15-13-24(32)36-5-2)20-10-11-21(22(16-20)25-17(3)30)27-26-18-6-8-19(9-7-18)29(33)34/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,30)/b27-26+

HIDE SMILES / InChI

Molecular Formula	C24H29N5O7
Molecular Weight	499.5164
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 12:28:03 GMT 2023` Edited by `admin` on `Sat Dec 16 12:28:03 GMT 2023`
Record UNII	GXN23F4GLP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl 3-[3-acetamido-N-(3-ethoxy-3-oxopropyl)-4-[(4-nitrophenyl)diazenyl]anilino]propanoate

Systematic Name

English

β-Alanine, N-[3-(acetylamino)-4-[2-(4-nitrophenyl)diazenyl]phenyl]-N-(3-ethoxy-3-oxopropyl)-, ethyl ester

Systematic Name

English

N-[3-(Acetylamino)-4-[2-(4-nitrophenyl)diazenyl]phenyl]-N-(3-ethoxy-3-oxopropyl)-β-alanine ethyl ester

Common Name

English

Code System Code Type Description

CAS

65954-87-2

Created by admin on Sat Dec 16 12:28:03 GMT 2023 , Edited by admin on Sat Dec 16 12:28:03 GMT 2023

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FDA UNII

GXN23F4GLP

Created by admin on Sat Dec 16 12:28:03 GMT 2023 , Edited by admin on Sat Dec 16 12:28:03 GMT 2023

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ECHA (EC/EINECS)

265-985-3

Created by admin on Sat Dec 16 12:28:03 GMT 2023 , Edited by admin on Sat Dec 16 12:28:03 GMT 2023

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EPA CompTox

DTXSID9070373

Created by admin on Sat Dec 16 12:28:03 GMT 2023 , Edited by admin on Sat Dec 16 12:28:03 GMT 2023

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