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Details

Stereochemistry ACHIRAL
Molecular Formula C17H17ClN4O2
Molecular Weight 344.795
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-BUTYL-5-((4-CHLOROPHENYL)AZO)-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXONICOTINONITRILE

SMILES

CCCCN1C(=O)C(C#N)=C(C)C(\N=N\C2=CC=C(Cl)C=C2)=C1O

InChI

InChIKey=DLTLEIUQPDJNQM-QZQOTICOSA-N
InChI=1S/C17H17ClN4O2/c1-3-4-9-22-16(23)14(10-19)11(2)15(17(22)24)21-20-13-7-5-12(18)6-8-13/h5-8,24H,3-4,9H2,1-2H3/b21-20+

HIDE SMILES / InChI

Molecular Formula C17H17ClN4O2
Molecular Weight 344.795
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:50:11 GMT 2025
Edited
by admin
on Mon Mar 31 21:50:11 GMT 2025
Record UNII
JHE4FQ68MN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-BUTYL-5-((4-CHLOROPHENYL)AZO)-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXONICOTINONITRILE
Systematic Name English
J38.123C
Preferred Name English
3-PYRIDINECARBONITRILE, 1-BUTYL-5-(2-(4-CHLOROPHENYL)DIAZENYL)-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-
Systematic Name English
1-BUTYL-5-(4-CHLOROPHENYLAZO)-3-CYANO-6-HYDROXY-4-METHYL-2(1H)-PYRIDONE
Systematic Name English
3-PYRIDINECARBONITRILE, 1-BUTYL-5-((4-CHLOROPHENYL)AZO)-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-
Systematic Name English
Code System Code Type Description
CAS
69808-32-8
Created by admin on Mon Mar 31 21:50:11 GMT 2025 , Edited by admin on Mon Mar 31 21:50:11 GMT 2025
PRIMARY
ECHA (EC/EINECS)
274-126-1
Created by admin on Mon Mar 31 21:50:11 GMT 2025 , Edited by admin on Mon Mar 31 21:50:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID9041493
Created by admin on Mon Mar 31 21:50:11 GMT 2025 , Edited by admin on Mon Mar 31 21:50:11 GMT 2025
PRIMARY
FDA UNII
JHE4FQ68MN
Created by admin on Mon Mar 31 21:50:11 GMT 2025 , Edited by admin on Mon Mar 31 21:50:11 GMT 2025
PRIMARY