[(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-iodanylbenzoate

Systemtic Name: [(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-iodanylbenzoate Openeye Name: [(1S)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [(1S)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16INO4 MolecularWeight: 437.22841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C18H16INO4/c1-11(21)13-5-9-16(10-6-13)20-17(22)12(2)24-18(23)14-3-7-15(19)8-4-14/h3-10,12H,1-2H3,(H,20,22)/t12-/m0/s1