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Details

Stereochemistry ACHIRAL
Molecular Formula C17H16ClN5O3
Molecular Weight 373.794
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-[[4-[2-(2-Chloro-4-nitrophenyl)diazenyl]phenyl](2-hydroxyethyl)amino]propanenitrile

SMILES

OCCN(CCC#N)C1=CC=C(C=C1)\N=N\C2=C(Cl)C=C(C=C2)[N+]([O-])=O

InChI

InChIKey=UHWBGWWOTKVSDD-QZQOTICOSA-N
InChI=1S/C17H16ClN5O3/c18-16-12-15(23(25)26)6-7-17(16)21-20-13-2-4-14(5-3-13)22(10-11-24)9-1-8-19/h2-7,12,24H,1,9-11H2/b21-20+

HIDE SMILES / InChI

Molecular Formula C17H16ClN5O3
Molecular Weight 373.794
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 12:22:04 GMT 2023
Edited
by admin
on Sat Dec 16 12:22:04 GMT 2023
Record UNII
JGP2HR5249
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[[4-[2-(2-Chloro-4-nitrophenyl)diazenyl]phenyl](2-hydroxyethyl)amino]propanenitrile
Systematic Name English
Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl](2-hydroxyethyl)amino]-
Systematic Name English
Propanenitrile, 3-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl](2-hydroxyethyl)amino]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2064446
Created by admin on Sat Dec 16 12:22:04 GMT 2023 , Edited by admin on Sat Dec 16 12:22:04 GMT 2023
PRIMARY
PUBCHEM
23139
Created by admin on Sat Dec 16 12:22:04 GMT 2023 , Edited by admin on Sat Dec 16 12:22:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-691-9
Created by admin on Sat Dec 16 12:22:04 GMT 2023 , Edited by admin on Sat Dec 16 12:22:04 GMT 2023
PRIMARY
CAS
6657-33-6
Created by admin on Sat Dec 16 12:22:04 GMT 2023 , Edited by admin on Sat Dec 16 12:22:04 GMT 2023
PRIMARY
FDA UNII
JGP2HR5249
Created by admin on Sat Dec 16 12:22:04 GMT 2023 , Edited by admin on Sat Dec 16 12:22:04 GMT 2023
PRIMARY