[2-(4-iodophenyl)-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-(4-iodophenyl)-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(4-iodophenyl)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(4-iodophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-iodophenyl)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(4-iodophenyl)-2-keto-ethyl] ester Formula: C14H10INO3 MolecularWeight: 367.13857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C14H10INO3/c15-12-5-3-10(4-6-12)13(17)9-19-14(18)11-2-1-7-16-8-11/h1-8H,9H2