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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18ClN5O3
Molecular Weight 387.82
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]-3-methylphenyl](2-hydroxyethyl)amino]propanenitrile

SMILES

CC1=CC(=CC=C1\N=N\C2=C(Cl)C=C(C=C2)[N+]([O-])=O)N(CCO)CCC#N

InChI

InChIKey=QDBJRXJHWACKOF-QURGRASLSA-N
InChI=1S/C18H18ClN5O3/c1-13-11-14(23(9-10-25)8-2-7-20)3-5-17(13)21-22-18-6-4-15(24(26)27)12-16(18)19/h3-6,11-12,25H,2,8-10H2,1H3/b22-21+

HIDE SMILES / InChI

Molecular Formula C18H18ClN5O3
Molecular Weight 387.82
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 12:24:17 GMT 2023
Edited
by admin
on Sat Dec 16 12:24:17 GMT 2023
Record UNII
G976JXE4YY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[[4-[2-(2-Chloro-4-nitrophenyl)diazenyl]-3-methylphenyl](2-hydroxyethyl)amino]propanenitrile
Systematic Name English
Propanenitrile, 3-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl](2-hydroxyethyl)amino]-
Systematic Name English
Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]-
Systematic Name English
Code System Code Type Description
CAS
65086-47-7
Created by admin on Sat Dec 16 12:24:17 GMT 2023 , Edited by admin on Sat Dec 16 12:24:17 GMT 2023
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FDA UNII
G976JXE4YY
Created by admin on Sat Dec 16 12:24:17 GMT 2023 , Edited by admin on Sat Dec 16 12:24:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID7070187
Created by admin on Sat Dec 16 12:24:17 GMT 2023 , Edited by admin on Sat Dec 16 12:24:17 GMT 2023
PRIMARY
ECHA (EC/EINECS)
265-382-5
Created by admin on Sat Dec 16 12:24:17 GMT 2023 , Edited by admin on Sat Dec 16 12:24:17 GMT 2023
PRIMARY