Basic information
- Standard SMILES
Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])nc1- InChIKey
MXGVVLQFXLARDT-UHFFFAOYSA-N- Molecular formula
- C17H19N3O5
- Average molar mass
- 345.3 g/mol
- Monoisotopic mass
- 345.13247072
Names & identifiers
- Preferred name
- Tert-butyl {4-methyl-3-[(6-nitropyridin-3-yl)oxy]phenyl}carbamate
- IUPAC
- tert-butyl N-[4-methyl-3-[(6-nitro-3-pyridinyl)oxy]phenyl]carbamate
Names & synonyms
SCHEMBL13636098MXGVVLQFXLARDT-UHFFFAOYSA-Ntert-butyl {4-methyl-3-[(6-nitropyridin-3-yl)oxy]phenyl}carbamatetert-butyl{4-methyl-3-[(6-nitropyridin-3-yl)oxy]phenyl}carbamate
Database identifiers
- PubChem CID
- 57749145
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 474
Related reactions
6 records
Compound notes
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