Basic information
- Standard SMILES
COC(=O)Nc1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1- InChIKey
WYZBJRZOKGYESN-UHFFFAOYSA-N- Molecular formula
- C14H19N3O5
- Average molar mass
- 309.32 g/mol
Names & identifiers
- Preferred name
- Methyl {3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}carbamate
- IUPAC
- methyl N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]carbamate
Names & synonyms
Methyl {3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}carbamateSCHEMBL10048260SCHEMBL13885821WYZBJRZOKGYESN-UHFFFAOYSA-N849350-93-2DB-319762methyl{3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}carbamate
Database identifiers
- PubChem CID
- 57723218
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
6 records
Compound notes
Loading…