Tert-butyl 3-(6-nitropyridin-3-yloxy)phenylcarbamate

HCID 57749209
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])nc2)c1
InChIKey
NOIGDPCDAZYGHJ-UHFFFAOYSA-N
Molecular formula
C16H17N3O5
Average molar mass
331.32 g/mol

Names & identifiers

Preferred name
Tert-butyl 3-(6-nitropyridin-3-yloxy)phenylcarbamate
IUPAC
tert-butyl N-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]carbamate

Names & synonyms

SCHEMBL4732688SCHEMBL29996697NOIGDPCDAZYGHJ-UHFFFAOYSA-Ntert-butyl 3-(6-nitropyridin-3-yloxy)phenylcarbamatetert-butyl{3-[(6-nitropyridin-3-yl)oxy]phenyl}carbamatetert-butyl {3-[(6-nitropyridin-3-yl)oxy]phenyl}carbamate

Database identifiers

PubChem CID
57749209

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
106 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
24

Related reactions

6 records
New reaction record

Compound notes

Loading…