Basic information
- Standard SMILES
Cc1cccc(OC[C@H](COCc2cccc([N+](=O)[O-])c2)NC(=O)OC(C)(C)C)c1- InChIKey
MIQQFTPZNCNJEY-SFHVURJKSA-N- Molecular formula
- C22H28N2O6
- Average molar mass
- 416.5 g/mol
Names & identifiers
- Preferred name
- t-butyl (1S)-2-(3-methylphenoxy)-1-{[(3-nitrobenzyl)oxy]methyl}ethylcarbamate
- IUPAC
- tert-butyl N-[(2S)-1-(3-methylphenoxy)-3-[(3-nitrophenyl)methoxy]propan-2-yl]carbamate
Names & synonyms
MIQQFTPZNCNJEY-SFHVURJKSA-Nt-butyl (1S)-2-(3-methylphenoxy)-1-{[(3-nitrobenzyl)oxy]methyl}ethylcarbamate
Database identifiers
- PubChem CID
- 86609359
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 545
Related reactions
1 records
Compound notes
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