7-Hydroxy-8-nitro-1,2,4,5-tetrahydro-benzo[d]azepine-3-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2cc(O)c([N+](=O)[O-])cc2CC1- InChIKey
HCQQWVTWIUYHSC-UHFFFAOYSA-N- Molecular formula
- C15H20N2O5
- Average molar mass
- 308.33 g/mol
Names & identifiers
- Preferred name
- 7-Hydroxy-8-nitro-1,2,4,5-tetrahydro-benzo[d]azepine-3-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 7-hydroxy-8-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
Names & synonyms
SCHEMBL2310306HCQQWVTWIUYHSC-UHFFFAOYSA-N1,1-Dimethylethyl 7-hydroxy-8-nitro-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate7-Hydroxy-8-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester7-hydroxy-8-nitro-1,2,4,5-tetrahydro-benzo[d]azepine-3-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58972811
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 429
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
6 records
Compound notes
Loading…