Basic information
- Standard SMILES
Cc1ccccc1[C@@H](CCC(=O)OC(C)(C)C)Oc1cc(OCc2cccnc2)ccc1[N+](=O)[O-]- InChIKey
AJNZGUCZABVBOK-XMMPIXPASA-N- Molecular formula
- C27H30N2O6
- Average molar mass
- 478.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl (R)-4-(2-methylphenyl)-4-(2-nitro-5-(3-pyridylmethoxy)phenoxy)butanoate
- IUPAC
- tert-butyl (4R)-4-(2-methylphenyl)-4-[2-nitro-5-(pyridin-3-ylmethoxy)phenoxy]butanoate
Names & synonyms
AJNZGUCZABVBOK-XMMPIXPASA-Ntert-butyl (R)-4-(2-methylphenyl)-4-(2-nitro-5-(3-pyridylmethoxy)phenoxy)butanoate
Database identifiers
- PubChem CID
- 53646282
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 676
Related reactions
2 records
Compound notes
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