Tert-butyl {4-methyl-3-[(6-nitropyridin-3-yl)oxy]phenyl}carbamate

HCID 57749145

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

Related reactions

6 records

Compound notes

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