Basic information
- CAS
57831-77-3- Standard SMILES
CC(=O)OC1CCn2c([N+](=O)[O-])cnc2-c2nccn21- InChIKey
AIZGKHDDSKGRQU-UHFFFAOYSA-N- Molecular formula
- C11H11N5O4
- Average molar mass
- 277.24 g/mol
- Monoisotopic mass
- 277.08110385
Names & identifiers
- Preferred name
- 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro-
- IUPAC
- (11-nitro-3,6,10,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2,4,11-tetraen-7-yl) acetate
- English name
- 6-Acetyloxy-3-nitro-6,7-dihydro-5H-diimidazo[1,2-a:2',1'-c][1,4]diazepine
- Molecular formula
- C11H11N5O4
- Molecular weight
- 277.24
Names & synonyms
BRN 116115857831-77-36-Acetyloxy-3-nitro-5H,6H,7H-diimidazo(1,2-a;2',1'-c)(1,4)diazepine5H,6H,7H-DIIMIDAZO(1,2-a;2',1'-c)(1,4)DIAZEPINE, 6-ACETYLOXY-3-NITRO-RefChem:305103DTXSID009734079-Nitro-6,7-dihydro-5H-diimidazo[1,2-a:2',1'-c][1,4]diazepin-5-yl acetate6-Acetyloxy-3-nitro-6,7-dihydro-5H-diimidazo[1,2-a:2',1'-c][1,4]diazepine5H-Diimidazo[1,2-a:2',1'-c][1,4]diazepin-6-ol, 6,7-dihydro-3-nitro-, 6-acetate
Database identifiers
- CAS
57831-77-3- PubChem CID
- 42585
- DTXSID
DTXSID00973407
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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