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Details

Stereochemistry ACHIRAL
Molecular Formula C20H20BrN7O7
Molecular Weight 550.32
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(2-((2-BROMO-4,6-DINITROPHENYL)AZO)-5-((2-CYANOETHYL)(2-HYDROXYETHYL)AMINO)-4-METHOXYPHENYL)ACETAMIDE

SMILES

COC1=C(C=C(NC(C)=O)C(=C1)\N=N\C2=C(C=C(C=C2Br)[N+]([O-])=O)[N+]([O-])=O)N(CCO)CCC#N

InChI

InChIKey=MJEWVKATPDZNHU-OCOZRVBESA-N
InChI=1S/C20H20BrN7O7/c1-12(30)23-15-10-17(26(6-7-29)5-3-4-22)19(35-2)11-16(15)24-25-20-14(21)8-13(27(31)32)9-18(20)28(33)34/h8-11,29H,3,5-7H2,1-2H3,(H,23,30)/b25-24+

HIDE SMILES / InChI

Approval Year

Name Type Language
N-(2-((2-BROMO-4,6-DINITROPHENYL)AZO)-5-((2-CYANOETHYL)(2-HYDROXYETHYL)AMINO)-4-METHOXYPHENYL)ACETAMIDE
Systematic Name English
ACETAMIDE, N-(2-((2-BROMO-4,6-DINITROPHENYL)AZO)-5-((2-CYANOETHYL)(2-HYDROXYETHYL)AMINO)-4-METHOXYPHENYL)-
Systematic Name English
2-ACETAMIDO-2'-BROMO-4-((2-CYANOETHYL)(2-HYDROXYETHYL)AMINO)-5-METHOXY-4',6'-DINITROAZOBENZENE
Systematic Name English
DISPERSE BLUE 94
Common Name English
Code System Code Type Description
CAS
76335-41-6
Created by admin on Sat Dec 16 13:09:49 GMT 2023 , Edited by admin on Sat Dec 16 13:09:49 GMT 2023
PRIMARY
PUBCHEM
117707
Created by admin on Sat Dec 16 13:09:49 GMT 2023 , Edited by admin on Sat Dec 16 13:09:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID6067173
Created by admin on Sat Dec 16 13:09:49 GMT 2023 , Edited by admin on Sat Dec 16 13:09:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
247-412-9
Created by admin on Sat Dec 16 13:09:49 GMT 2023 , Edited by admin on Sat Dec 16 13:09:49 GMT 2023
PRIMARY
FDA UNII
E7B88GJJ82
Created by admin on Sat Dec 16 13:09:49 GMT 2023 , Edited by admin on Sat Dec 16 13:09:49 GMT 2023
PRIMARY
CAS
26021-20-5
Created by admin on Sat Dec 16 13:09:49 GMT 2023 , Edited by admin on Sat Dec 16 13:09:49 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY