Methyl 1-(6-(4-nitrophenyl)-1-oxoisoindolin-2-yl)cyclobutanecarboxylate

HCID 67313692
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Basic information

Standard SMILES
COC(=O)C1(N2Cc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3C2=O)CCC1
InChIKey
NIUKDSFKGYBXBY-UHFFFAOYSA-N
Molecular formula
C20H18N2O5
Average molar mass
366.4 g/mol
Monoisotopic mass
366.12157168

Names & identifiers

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

Names & synonyms

SCHEMBL2197334NIUKDSFKGYBXBY-UHFFFAOYSA-NMethyl 1-(6-(4-nitrophenyl)-1-oxoisoindolin-2-yl)cyclobutanecarboxylate

Database identifiers

PubChem CID
67313692

Properties

Computed structural properties

XLogP
3
Topological polar surface area
92.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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