[2-(4-iodophenyl)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(4-iodophenyl)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(4-iodophenyl)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(4-iodophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-iodophenyl)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(4-iodophenyl)-2-keto-ethyl] ester Formula: C16H10INO3 MolecularWeight: 391.15997

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)I)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)I)C#N

InChI

InChI=1S/C16H10INO3/c17-14-6-4-12(5-7-14)15(19)10-21-16(20)13-3-1-2-11(8-13)9-18/h1-8H,10H2