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Details

Stereochemistry ACHIRAL
Molecular Formula C20H20ClN7O7
Molecular Weight 505.869
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-{2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-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=C2Cl)[N+]([O-])=O)[N+]([O-])=O)N(CCO)CCC#N

InChI

InChIKey=WECQKZZOBBSHPK-OCOZRVBESA-N
InChI=1S/C20H20ClN7O7/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

Molecular Formula C20H20ClN7O7
Molecular Weight 505.869
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 12:03:27 GMT 2023
Edited
by admin
on Sat Dec 16 12:03:27 GMT 2023
Record UNII
R5W3BL3UK8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-{2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl}acetamide
Systematic Name English
Acetamide, N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-, (E)-
Systematic Name English
Acetamide, N-[2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-
Systematic Name English
Acetamide, N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-
Systematic Name English
p-Acetanisidide, 2′-[(2-chloro-4,6-dinitrophenyl)azo]-5′-[(2-cyanoethyl)(2-hydroxyethyl)amino]-
Systematic Name English
N-{2-[(1E)-2-(2-chloro-4,6-dinitrophenyl)diazen-1-yl]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl}acetamide
Systematic Name English
N-[2-[2-(2-Chloro-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
245-895-0
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY
CAS
23807-28-5
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
R5W3BL3UK8
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY
CAS
76335-43-8
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY
PUBCHEM
90270
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID7066934
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY