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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H7N3O3
Molecular Weight 157.1274
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-NITRO-1H-IMIDAZOL-1-YL)ETHANOL

SMILES

OCCN1C=NC(=C1)[N+]([O-])=O

InChI

InChIKey=NIHGAGCAEFVICG-UHFFFAOYSA-N
InChI=1S/C5H7N3O3/c9-2-1-7-3-5(6-4-7)8(10)11/h3-4,9H,1-2H2

HIDE SMILES / InChI

Molecular Formula C5H7N3O3
Molecular Weight 157.1274
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:00:46 GMT 2023
Edited
by admin
on Sat Dec 16 11:00:46 GMT 2023
Record UNII
UD15593HGR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-NITRO-1H-IMIDAZOL-1-YL)ETHANOL
Systematic Name English
IMIDAZOLE-1-ETHANOL, 4-NITRO-
Systematic Name English
SS-166-1
Code English
1H-IMIDAZOLE-1-ETHANOL, 4-NITRO-
Systematic Name English
KIH-855
Code English
Code System Code Type Description
CAS
5006-69-9
Created by admin on Sat Dec 16 11:00:46 GMT 2023 , Edited by admin on Sat Dec 16 11:00:46 GMT 2023
PRIMARY
PUBCHEM
2783816
Created by admin on Sat Dec 16 11:00:46 GMT 2023 , Edited by admin on Sat Dec 16 11:00:46 GMT 2023
PRIMARY
FDA UNII
UD15593HGR
Created by admin on Sat Dec 16 11:00:46 GMT 2023 , Edited by admin on Sat Dec 16 11:00:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID80382694
Created by admin on Sat Dec 16 11:00:46 GMT 2023 , Edited by admin on Sat Dec 16 11:00:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY