Potassium 7-nitro-2-oxido-5-phenyl-3H-1,4-benzodiazepine-3-carboxylate--water (2/1/1)
Basic information
- CAS
24477-47-2- Standard SMILES
O=C([O-])C1N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC1=O.[K+].[K+].[OH-]- InChIKey
RLJAGKQMMRLUSE-UHFFFAOYSA-L- Molecular formula
- C16H11K2N3O6
- Average molar mass
- 419.47 g/mol
- Monoisotopic mass
- 418.99219805
Names & identifiers
- Preferred name
- Potassium 7-nitro-2-oxido-5-phenyl-3H-1,4-benzodiazepine-3-carboxylate--water (2/1/1)
- IUPAC
- dipotassium;7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate;hydroxide
Names & synonyms
24477-47-2DTXSID10947371Potassium 7-nitro-2-oxido-5-phenyl-3H-1,4-benzodiazepine-3-carboxylate--water (2/1/1)RefChem:1096526DTXCID3013756314335 CBSCHEMBL31518755dipotassium;7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate;hydroxide
Database identifiers
- CAS
24477-47-2- PubChem CID
- 32416
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 559
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…