Methyl 3-(6-(4-nitrophenyl)-1-oxoisoindolin-2-yl)cyclohexanecarboxylate

HCID 67312960
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Basic information

Standard SMILES
COC(=O)C1CCCC(N2Cc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3C2=O)C1
InChIKey
DXKTZHHJGBIPOL-UHFFFAOYSA-N
Molecular formula
C22H22N2O5
Average molar mass
394.4 g/mol
Monoisotopic mass
394.15287181

Names & identifiers

Preferred name
Methyl 3-(6-(4-nitrophenyl)-1-oxoisoindolin-2-yl)cyclohexanecarboxylate
IUPAC
methyl 3-[5-(4-nitrophenyl)-3-oxo-1H-isoindol-2-yl]cyclohexane-1-carboxylate

Names & synonyms

SCHEMBL2195082DXKTZHHJGBIPOL-UHFFFAOYSA-NMethyl 3-(6-(4-nitrophenyl)-1-oxoisoindolin-2-yl)cyclohexanecarboxylate

Database identifiers

PubChem CID
67312960

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
92.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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