Basic information
- Standard SMILES
O=C1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21- InChIKey
KUCBNTWUKOGPPC-UHFFFAOYSA-N- Molecular formula
- C17H14N2O4
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.09535693
Names & identifiers
- Preferred name
- 5H-1-Benzazepin-5-one, 1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-
- IUPAC
- 1-(4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
Names & synonyms
137975-89-41-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one5H-1-Benzazepin-5-one, 1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-SCHEMBL6990464DTXSID40444161KUCBNTWUKOGPPC-UHFFFAOYSA-NFK-07211,2,3,4-tetrahydro-1(4-nitrobenzoyl)-5H-1benzazepin-5-one1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro1H-1-benzazepin-5-one1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepin-5-one1-(4-Nitrobenzoyl)-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
Database identifiers
- CAS
137975-89-4- PubChem CID
- 10733729
- DTXSID
DTXSID40444161
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Related reactions
36 records
Linked notes
Loading…