U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H21ClN6O8
Molecular Weight 496.858
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-[5-[Bis(2-hydroxyethyl)amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-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)CCO

InChI

InChIKey=ZGEDNLYBHOQTOJ-GHVJWSGMSA-N
InChI=1S/C19H21ClN6O8/c1-11(29)21-14-9-16(24(3-5-27)4-6-28)18(34-2)10-15(14)22-23-19-13(20)7-12(25(30)31)8-17(19)26(32)33/h7-10,27-28H,3-6H2,1-2H3,(H,21,29)/b23-22+

HIDE SMILES / InChI

Molecular Formula C19H21ClN6O8
Molecular Weight 496.858
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 11:46:47 GMT 2023
Edited
by admin
on Sat Dec 16 11:46:47 GMT 2023
Record UNII
YT89D2LBN6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[5-[Bis(2-hydroxyethyl)amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
Systematic Name English
Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-
Systematic Name English
1-(1,6-Dimethyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl)ethanone
Systematic Name English
Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
260-023-9
Created by admin on Sat Dec 16 11:46:47 GMT 2023 , Edited by admin on Sat Dec 16 11:46:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID6069084
Created by admin on Sat Dec 16 11:46:47 GMT 2023 , Edited by admin on Sat Dec 16 11:46:47 GMT 2023
PRIMARY
CAS
114374-07-1
Created by admin on Sat Dec 16 11:46:47 GMT 2023 , Edited by admin on Sat Dec 16 11:46:47 GMT 2023
PRIMARY
FDA UNII
YT89D2LBN6
Created by admin on Sat Dec 16 11:46:47 GMT 2023 , Edited by admin on Sat Dec 16 11:46:47 GMT 2023
PRIMARY
CAS
56149-93-0
Created by admin on Sat Dec 16 11:46:47 GMT 2023 , Edited by admin on Sat Dec 16 11:46:47 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY