2-[2-Hydroxy-2-(2-nitro-1H-imidazol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione

HCID 22338292
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Basic information

Standard SMILES
O=C1c2ccccc2C(=O)N1CC(O)n1ccnc1[N+](=O)[O-]
InChIKey
BTOKBOBBHUUOAQ-UHFFFAOYSA-N
Molecular formula
C13H10N4O5
Average molar mass
302.24 g/mol

Names & identifiers

Preferred name
2-[2-Hydroxy-2-(2-nitro-1H-imidazol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione
IUPAC
2-[2-hydroxy-2-(2-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione

Names & synonyms

SCHEMBL3836468BTOKBOBBHUUOAQ-UHFFFAOYSA-N2-[2-Hydroxy-2-(2-nitro-1H-imidazol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione

Database identifiers

PubChem CID
22338292

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
121 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
22

Related reactions

8 records
New reaction record

Compound notes

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