Basic information
- Standard SMILES
CN(C)C=C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O- InChIKey
AOIJXXLBBMUUPV-UHFFFAOYSA-N- Molecular formula
- C20H19N3O4
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- 4-[(dimethylamino)methylene]-1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepin-5-one
- IUPAC
- 4-(dimethylaminomethylidene)-1-(4-nitrobenzoyl)-2,3-dihydro-1-benzazepin-5-one
Names & synonyms
SCHEMBL7330871AOIJXXLBBMUUPV-UHFFFAOYSA-N4-[(dimethylamino)-methylene]-1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepin-5-one4-[(dimethylamino)methylene]-1,2,3,4,-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepin-5-one4-[(dimethylamino)methylene]-1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepin-5-one4-[(dimethylamino)methylene]-1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepine-5-one4-[(Dimethylamino)methylene]-1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1benzazepin-5-one
Database identifiers
- PubChem CID
- 53653564
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 617
Related reactions
51 records
Linked notes
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