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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H11N3O3
Molecular Weight 197.1912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HC RED NO. 3

SMILES

NC1=CC(=C(NCCO)C=C1)[N+]([O-])=O

InChI

InChIKey=GZGZVOLBULPDFD-UHFFFAOYSA-N
InChI=1S/C8H11N3O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2

HIDE SMILES / InChI

Molecular Formula C8H11N3O3
Molecular Weight 197.1912
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
51CPX7M1SQ
Record Status Validated (UNII)
Record Version