Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(CO)c2c1cc([N+](=O)[O-])c1ccccc21- InChIKey
ROOWKMHOADTTRB-UHFFFAOYSA-N- Molecular formula
- C18H20N2O5
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.13722174
Names & identifiers
- Preferred name
- 3-(tert-butyloxycarbonyl)-1-hydroxymethyl-5-nitro,1,2-dihydro-3H-benz[e]indole
- IUPAC
- tert-butyl 1-(hydroxymethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate
Names & synonyms
SCHEMBL4590751ROOWKMHOADTTRB-UHFFFAOYSA-N3-(tert-butyloxycarbonyl)-1-hydroxymethyl-5-nitro,1,2-dihydro-3H-benz[e]indole
Database identifiers
- PubChem CID
- 10712464
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 527
Related reactions
6 records
Compound notes
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