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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H11N3O4
Molecular Weight 249.2227
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-1,5-METHANO-1H-3-BENZAZEPINE

SMILES

[O-][N+](=O)C1=CC2=C(C=C1[N+]([O-])=O)[C@@H]3C[C@H]2CNC3

InChI

InChIKey=VSKYGZMZVGNBGR-KNVOCYPGSA-N
InChI=1S/C11H11N3O4/c15-13(16)10-2-8-6-1-7(5-12-4-6)9(8)3-11(10)14(17)18/h2-3,6-7,12H,1,4-5H2/t6-,7+

HIDE SMILES / InChI

Molecular Formula C11H11N3O4
Molecular Weight 249.2227
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 Wed Apr 02 10:47:42 GMT 2025
Edited
by admin
on Wed Apr 02 10:47:42 GMT 2025
Record UNII
BNF9JHR6AT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,5-METHANO-1H-3-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-7,8-DINITRO-
Preferred Name English
2,3,4,5-TETRAHYDRO-7,8-DINITRO-1,5-METHANO-1H-3-BENZAZEPINE
Systematic Name English
CIS-7,8-DINITRO-2,3,4,5-TETRAHYDRO-1H-1,5-METHANOBENZO(D)AZEPINE
Systematic Name English
Code System Code Type Description
FDA UNII
BNF9JHR6AT
Created by admin on Wed Apr 02 10:47:42 GMT 2025 , Edited by admin on Wed Apr 02 10:47:42 GMT 2025
PRIMARY
CAS
230615-08-4
Created by admin on Wed Apr 02 10:47:42 GMT 2025 , Edited by admin on Wed Apr 02 10:47:42 GMT 2025
PRIMARY
PUBCHEM
89398826
Created by admin on Wed Apr 02 10:47:42 GMT 2025 , Edited by admin on Wed Apr 02 10:47:42 GMT 2025
PRIMARY