[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-iodanylbenzoate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C22H14ClF3INO3 MolecularWeight: 559.70414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)OC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)OC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C22H14ClF3INO3/c23-15-8-11-18(17(12-15)22(24,25)26)28-20(29)19(13-4-2-1-3-5-13)31-21(30)14-6-9-16(27)10-7-14/h1-12,19H,(H,28,29)