[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-iodanyl-2-oxidanyl-benzoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-iodanyl-2-oxidanyl-benzoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-hydroxy-5-iodo-benzoate CAS Name: 2-hydroxy-5-iodobenzoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-hydroxy-5-iodobenzoate Traditional Name: 2-hydroxy-5-iodo-benzoic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18INO4 MolecularWeight: 439.24429

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)I)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)I)O

InChI

InChI=1S/C18H18INO4/c1-3-12-4-7-14(8-5-12)20-17(22)11(2)24-18(23)15-10-13(19)6-9-16(15)21/h4-11,21H,3H2,1-2H3,(H,20,22)