Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(COS(C)(=O)=O)c2c1cc([N+](=O)[O-])c1ccccc21- InChIKey
OVXVUFRXNREXIA-UHFFFAOYSA-N- Molecular formula
- C19H22N2O7S
- Average molar mass
- 422.5 g/mol
Names & identifiers
- Preferred name
- 3-(tert-butyloxycarbonyl)-1-[(methanesulfonyloxy)methyl]-5-nitro-1,2-dihydro-3H-benz[e]indole
- IUPAC
- tert-butyl 1-(methylsulfonyloxymethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate
Names & synonyms
SCHEMBL6204644OVXVUFRXNREXIA-UHFFFAOYSA-N3-(tert-butyloxycarbonyl)-1-[(methanesulfonyloxy)methyl]-5-nitro-1,2-dihydro-3H-benz[e]indole
Database identifiers
- PubChem CID
- 5249349
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 737
Related reactions
2 records
Compound notes
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