METHYL N-(4-((2,4-DINITROPHENYL)AZO)-2-METHOXY-5-((1-OXOPROPYL)AMINO)PHENYL)-N-(3-METHOXY-3-OXOPROPYL)-BETA-ALANINATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H28N6O10
Molecular Weight	560.5133
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of METHYL N-(4-((2,4-DINITROPHENYL)AZO)-2-METHOXY-5-((1-OXOPROPYL)AMINO)PHENYL)-N-(3-METHOXY-3-OXOPROPYL)-BETA-ALANINATE

Structure Search

SMILES

CCC(=O)NC1=CC(N(CCC(=O)OC)CCC(=O)OC)=C(OC)C=C1\N=N\C2=CC=C(C=C2[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=DQHAOOGYAZZHJJ-CYYJNZCTSA-N

InChI=1S/C24H28N6O10/c1-5-22(31)25-17-13-20(28(10-8-23(32)39-3)11-9-24(33)40-4)21(38-2)14-18(17)27-26-16-7-6-15(29(34)35)12-19(16)30(36)37/h6-7,12-14H,5,8-11H2,1-4H3,(H,25,31)/b27-26+

HIDE SMILES / InChI

Molecular Formula	C24H28N6O10
Molecular Weight	560.5133
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 18:49:53 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:53 GMT 2025`
Record UNII	8FG90CYN4D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-ALANINE, N-(4-((2,4-DINITROPHENYL)AZO)-2-METHOXY-5-((1-OXOPROPYL)AMINO)PHENYL)-N-(3-METHOXY-3-OXOPROPYL)-, METHYL ESTER

Preferred Name

English

METHYL N-(4-((2,4-DINITROPHENYL)AZO)-2-METHOXY-5-((1-OXOPROPYL)AMINO)PHENYL)-N-(3-METHOXY-3-OXOPROPYL)-BETA-ALANINATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID1071951

Created by admin on Tue Apr 01 18:49:53 GMT 2025 , Edited by admin on Tue Apr 01 18:49:53 GMT 2025

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CAS

68992-00-7

Created by admin on Tue Apr 01 18:49:53 GMT 2025 , Edited by admin on Tue Apr 01 18:49:53 GMT 2025

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FDA UNII

8FG90CYN4D

Created by admin on Tue Apr 01 18:49:53 GMT 2025 , Edited by admin on Tue Apr 01 18:49:53 GMT 2025

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ECHA (EC/EINECS)

273-664-4

Created by admin on Tue Apr 01 18:49:53 GMT 2025 , Edited by admin on Tue Apr 01 18:49:53 GMT 2025

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