[2-(4-iodophenyl)-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-(4-iodophenyl)-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-(4-iodophenyl)-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-(4-iodophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-iodophenyl)-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-(4-iodophenyl)-2-keto-ethyl] ester Formula: C13H8INO6 MolecularWeight: 401.11019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])I

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])I

InChI

InChI=1S/C13H8INO6/c14-9-3-1-8(2-4-9)10(16)7-20-13(17)11-5-6-12(21-11)15(18)19/h1-6H,7H2