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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H9N3O3
Molecular Weight 207.1861
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HC YELLOW NO. 14

SMILES

OCCNC1=C(C=C(C=C1)C#N)[N+]([O-])=O

InChI

InChIKey=PWOSOZQHIRPPHP-UHFFFAOYSA-N
InChI=1S/C9H9N3O3/c10-6-7-1-2-8(11-3-4-13)9(5-7)12(14)15/h1-2,5,11,13H,3-4H2

HIDE SMILES / InChI

Molecular Formula C9H9N3O3
Molecular Weight 207.1861
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:17:03 GMT 2025
Edited
by admin
on Mon Mar 31 21:17:03 GMT 2025
Record UNII
55TAL52Z26
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HC YELLOW 14
Preferred Name English
HC YELLOW NO. 14
INCI  
INCI  
Official Name English
BENZONITRILE, 4-((2-HYDROXYETHYL)AMINO)-3-NITRO-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C461
Created by admin on Mon Mar 31 21:17:03 GMT 2025 , Edited by admin on Mon Mar 31 21:17:03 GMT 2025
Code System Code Type Description
CAS
90349-40-9
Created by admin on Mon Mar 31 21:17:03 GMT 2025 , Edited by admin on Mon Mar 31 21:17:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID90879803
Created by admin on Mon Mar 31 21:17:03 GMT 2025 , Edited by admin on Mon Mar 31 21:17:03 GMT 2025
PRIMARY
NCI_THESAURUS
C99819
Created by admin on Mon Mar 31 21:17:03 GMT 2025 , Edited by admin on Mon Mar 31 21:17:03 GMT 2025
PRIMARY
PUBCHEM
15001944
Created by admin on Mon Mar 31 21:17:03 GMT 2025 , Edited by admin on Mon Mar 31 21:17:03 GMT 2025
PRIMARY
FDA UNII
55TAL52Z26
Created by admin on Mon Mar 31 21:17:03 GMT 2025 , Edited by admin on Mon Mar 31 21:17:03 GMT 2025
PRIMARY