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3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-5-nitro-1,3-dihydro-2H-indol-2-one

HCID 339266
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Basic information

CAS
83393-63-9
Standard SMILES
O=C(CC1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccco1
InChIKey
RXIYPJBVYFVEQR-UHFFFAOYSA-N
Molecular formula
C14H10N2O6
Average molar mass
302.24 g/mol
Monoisotopic mass
302.05388604

Names & identifiers

Preferred name
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-5-nitro-1,3-dihydro-2H-indol-2-one
IUPAC
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-5-nitro-1H-indol-2-one

Names & synonyms

STK38188183393-63-93-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-5-nitro-1,3-dihydro-2H-indol-2-oneNSC365098Oprea1_582346DTXSID40320830AKOS005452134NSC-365098DS-014036ST510577313-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-5-nitroindolin-2-one3-[2-(2-furyl)-2-oxo-ethyl]-3-hydroxy-5-nitro-1H-indol-2-one

Database identifiers

CAS
83393-63-9
PubChem CID
339266
DTXSID
DTXSID40320830

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
125 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
504

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Compound notes

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