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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H10N4O5
Molecular Weight 278.2209
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-nitroso-1,5-methano-1H-3-benzazepine

SMILES

[O-][N+](=O)C1=C(C=C2[C@@H]3C[C@@H](CN(C3)N=O)C2=C1)[N+]([O-])=O

InChI

InChIKey=XCIZXZBPVNWIAX-KNVOCYPGSA-N
InChI=1S/C11H10N4O5/c16-12-13-4-6-1-7(5-13)9-3-11(15(19)20)10(14(17)18)2-8(6)9/h2-3,6-7H,1,4-5H2/t6-,7+

HIDE SMILES / InChI

Molecular Formula C11H10N4O5
Molecular Weight 278.2209
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 13:26:54 GMT 2025
Edited
by admin
on Wed Apr 02 13:26:54 GMT 2025
Record UNII
7HN3476LCS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-7,8-dinitro-3-nitroso-
Preferred Name English
2,3,4,5-Tetrahydro-7,8-dinitro-3-nitroso-1,5-methano-1H-3-benzazepine
Systematic Name English
Code System Code Type Description
PUBCHEM
163197926
Created by admin on Wed Apr 02 13:26:54 GMT 2025 , Edited by admin on Wed Apr 02 13:26:54 GMT 2025
PRIMARY
CAS
2803960-63-4
Created by admin on Wed Apr 02 13:26:54 GMT 2025 , Edited by admin on Wed Apr 02 13:26:54 GMT 2025
PRIMARY
FDA UNII
7HN3476LCS
Created by admin on Wed Apr 02 13:26:54 GMT 2025 , Edited by admin on Wed Apr 02 13:26:54 GMT 2025
PRIMARY