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Details

Stereochemistry ACHIRAL
Molecular Formula C23H30N4O3
Molecular Weight 410.5093
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTONITAZENE

SMILES

CCN(CC)CCN1C(CC2=CC=C(OC(C)C)C=C2)=NC3=C1C=CC(=C3)[N+]([O-])=O

InChI

InChIKey=OIOQREYBGDAYGT-UHFFFAOYSA-N
InChI=1S/C23H30N4O3/c1-5-25(6-2)13-14-26-22-12-9-19(27(28)29)16-21(22)24-23(26)15-18-7-10-20(11-8-18)30-17(3)4/h7-12,16-17H,5-6,13-15H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C23H30N4O3
Molecular Weight 410.5093
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
ZFY1ZBQ8AV
Record Status Validated (UNII)
Record Version