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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

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

Approval Year

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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY