[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C17H10F6INO3 MolecularWeight: 517.161089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)I

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)I

InChI

InChI=1S/C17H10F6INO3/c18-16(19,20)10-5-9(6-11(7-10)17(21,22)23)15(27)28-8-14(26)25-13-3-1-12(24)2-4-13/h1-7H,8H2,(H,25,26)