Basic information
- CAS
60676-80-4- Standard SMILES
O=C(O)C1N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC1=O- InChIKey
JPEUYYKTUFRADV-UHFFFAOYSA-N- Molecular formula
- C16H11N3O5
- Average molar mass
- 325.27 g/mol
- Monoisotopic mass
- 325.06987046
Names & identifiers
- Preferred name
- 2,3-Dihydro-7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid
- IUPAC
- 7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid
Names & synonyms
Nitrazepate60676-80-42,3-Dihydro-7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acidEINECS 262-372-2UNII-1HPA15G63CCHEMBL2110637SCHEMBL11833501SCHEMBL29588849DTXSID90863560JPEUYYKTUFRADV-UHFFFAOYSA-N7-nitro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acidDB-313045
Show more names
NS00055649
Database identifiers
- CAS
60676-80-4- PubChem CID
- 21741
- DTXSID
DTXSID90863560- ChEMBL
CHEMBL2110637- EC Number
- 262-372-2
- Nikkaji
- J268.262A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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