Basic information
- Standard SMILES
COC(=O)NC1CC(C)(C)c2ccc([N+](=O)[O-])cc2NC1=O- InChIKey
MCVLRJGLUNSVMX-UHFFFAOYSA-N- Molecular formula
- C14H17N3O5
- Average molar mass
- 307.3 g/mol
Names & identifiers
- Preferred name
- (5,5-Dimethyl-8-nitro-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-carbamic acid methyl ester
- IUPAC
- methyl N-(5,5-dimethyl-8-nitro-2-oxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate
Names & synonyms
SCHEMBL2062654MCVLRJGLUNSVMX-UHFFFAOYSA-N(5,5-Dimethyl-8-nitro-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-carbamic acid methyl ester
Database identifiers
- PubChem CID
- 67264643
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 474
Related reactions
3 records
Compound notes
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