2,4-dinitrophenyl o-(N-t-butoxycarbonyl-N-methylaminomethyl)phenylacetate

HCID 20344371
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Basic information

Standard SMILES
CN(Cc1ccccc1CC(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC(C)(C)C
InChIKey
CAFUCRRQAAWSSE-UHFFFAOYSA-N
Molecular formula
C21H23N3O8
Average molar mass
445.4 g/mol

Names & identifiers

Preferred name
2,4-dinitrophenyl o-(N-t-butoxycarbonyl-N-methylaminomethyl)phenylacetate
IUPAC
(2,4-dinitrophenyl) 2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]acetate

Names & synonyms

SCHEMBL11486532CAFUCRRQAAWSSE-UHFFFAOYSA-N2,4-dinitrophenyl o-(N-t-butoxycarbonyl-N-methylaminomethyl)phenylacetate

Database identifiers

PubChem CID
20344371

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
147 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
32

Related reactions

3 records
New reaction record

Compound notes

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