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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10F3N3O5
Molecular Weight 345.2308
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine

SMILES

[O-][N+](=O)C1=CC2=C(C=C1[N+]([O-])=O)[C@@H]3C[C@H]2CN(C3)C(=O)C(F)(F)F

InChI

InChIKey=BDTXJBWOCIFUMR-KNVOCYPGSA-N
InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)9-3-11(19(23)24)10(18(21)22)2-8(6)9/h2-3,6-7H,1,4-5H2/t6-,7+

HIDE SMILES / InChI

Molecular Formula C13H10F3N3O5
Molecular Weight 345.2308
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:18:19 GMT 2023
Edited
by admin
on Sat Dec 16 18:18:19 GMT 2023
Record UNII
J4X7FKT7C2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine
Systematic Name English
1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
Systematic Name English
Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)-
Systematic Name English
2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)ethanone
Systematic Name English
Code System Code Type Description
CAS
230615-59-5
Created by admin on Sat Dec 16 18:18:19 GMT 2023 , Edited by admin on Sat Dec 16 18:18:19 GMT 2023
PRIMARY
PUBCHEM
11267957
Created by admin on Sat Dec 16 18:18:19 GMT 2023 , Edited by admin on Sat Dec 16 18:18:19 GMT 2023
PRIMARY
FDA UNII
J4X7FKT7C2
Created by admin on Sat Dec 16 18:18:19 GMT 2023 , Edited by admin on Sat Dec 16 18:18:19 GMT 2023
PRIMARY