[2-(4-iodophenyl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-(4-iodophenyl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(4-iodophenyl)-2-oxo-ethyl] 3,5-dimethylisoxazole-4-carboxylate CAS Name: 3,5-dimethyl-4-isoxazolecarboxylic acid [2-(4-iodophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-iodophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Traditional Name: 3,5-dimethylisoxazole-4-carboxylic acid [2-(4-iodophenyl)-2-keto-ethyl] ester Formula: C14H12INO4 MolecularWeight: 385.15385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)OCC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)OCC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C14H12INO4/c1-8-13(9(2)20-16-8)14(18)19-7-12(17)10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3