[(1S)-1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 3-iodanylbenzoate

Systemtic Name: [(1S)-1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 3-iodanylbenzoate Openeye Name: [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenyl-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] ester IUPAC Name: [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [(1S)-2-keto-1-(4-nitrophenyl)-2-phenyl-ethyl] ester Formula: C21H14INO5 MolecularWeight: 487.24403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C21H14INO5/c22-17-8-4-7-16(13-17)21(25)28-20(19(24)14-5-2-1-3-6-14)15-9-11-18(12-10-15)23(26)27/h1-13,20H/t20-/m0/s1