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Details

Stereochemistry ACHIRAL
Molecular Formula C22H17N7O
Molecular Weight 395.4167
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-rilpivirine-2

SMILES

CC1=CC(\C=C\C#N)=CC(C)=C1NC2=NC(=NC=C2)N(N=O)C3=CC=C(C=C3)C#N

InChI

InChIKey=NIHKHWCBNVRRAW-ONEGZZNKSA-N
InChI=1S/C22H17N7O/c1-15-12-18(4-3-10-23)13-16(2)21(15)26-20-9-11-25-22(27-20)29(28-30)19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H,25,26,27)/b4-3+

HIDE SMILES / InChI

Molecular Formula C22H17N7O
Molecular Weight 395.4167
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
UA25CYY6AZ
Record Status Validated (UNII)
Record Version