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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H12F3N3O4
Molecular Weight 343.258
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-2-NITRO-6-(4-TRIFLUOROMETHYL-BENZYLOXY)-6,7-DIHYDRO-5H-IMIDAZO(2,1-B)(1,3)OXAZINE

SMILES

[O-][N+](=O)C1=CN2C[C@@H](COC2=N1)OCC3=CC=C(C=C3)C(F)(F)F

InChI

InChIKey=SGJBPETWYLMWNC-NSHDSACASA-N
InChI=1S/C14H12F3N3O4/c15-14(16,17)10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H12F3N3O4
Molecular Weight 343.258
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:47:32 GMT 2025
Edited
by admin
on Wed Apr 02 10:47:32 GMT 2025
Record UNII
4T3DY6RP52
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6S)-6,7-DIHYDRO-2-NITRO-6-((4-(TRIFLUOROMETHYL)PHENYL)METHOXY)-5H-IMIDAZO(2,1-B)(1,3)OXAZINE
Preferred Name English
(S)-2-NITRO-6-(4-TRIFLUOROMETHYL-BENZYLOXY)-6,7-DIHYDRO-5H-IMIDAZO(2,1-B)(1,3)OXAZINE
Systematic Name English
5H-IMIDAZO(2,1-B)(1,3)OXAZINE, 6,7-DIHYDRO-2-NITRO-6-((4-(TRIFLUOROMETHYL)PHENYL)METHOXY)-, (S)-
Systematic Name English
5H-IMIDAZO(2,1-B)(1,3)OXAZINE, 6,7-DIHYDRO-2-NITRO-6-((4-(TRIFLUOROMETHYL)PHENYL)METHOXY)-, (6S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20172011
Created by admin on Wed Apr 02 10:47:32 GMT 2025 , Edited by admin on Wed Apr 02 10:47:32 GMT 2025
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PUBCHEM
476495
Created by admin on Wed Apr 02 10:47:32 GMT 2025 , Edited by admin on Wed Apr 02 10:47:32 GMT 2025
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FDA UNII
4T3DY6RP52
Created by admin on Wed Apr 02 10:47:32 GMT 2025 , Edited by admin on Wed Apr 02 10:47:32 GMT 2025
PRIMARY
SMS_ID
100000183852
Created by admin on Wed Apr 02 10:47:32 GMT 2025 , Edited by admin on Wed Apr 02 10:47:32 GMT 2025
PRIMARY
CAS
187235-26-3
Created by admin on Wed Apr 02 10:47:32 GMT 2025 , Edited by admin on Wed Apr 02 10:47:32 GMT 2025
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