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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H28N4O2
Molecular Weight 380.4833
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYLNITAZENE

SMILES

CCN(CC)CCN1C(CC2=CC=C(CC)C=C2)=NC3=CC(=CC=C13)[N+]([O-])=O

InChI

InChIKey=UTCHQSQZILUTIM-UHFFFAOYSA-N
InChI=1S/C22H28N4O2/c1-4-17-7-9-18(10-8-17)15-22-23-20-16-19(26(27)28)11-12-21(20)25(22)14-13-24(5-2)6-3/h7-12,16H,4-6,13-15H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C22H28N4O2
Molecular Weight 380.4833
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
L8WSC53AU5
Record Status Validated (UNII)
Record Version