[2-(3-iodanylphenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(3-iodanylphenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(3-iodophenyl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(3-iodophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-iodophenyl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(3-iodophenyl)-2-keto-ethyl] ester Formula: C18H12INO3 MolecularWeight: 417.19725

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C18H12INO3/c19-14-6-3-5-13(10-14)17(21)11-23-18(22)16-9-8-12-4-1-2-7-15(12)20-16/h1-10H,11H2