4-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]-2-nitro-benzoic acid

Systemtic Name: 4-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]-2-nitro-benzoic acid Openeye Name: 4-(3,5-diacetamido-2,4,6-triiodo-phenyl)-2-nitro-benzoic acid CAS Name: 4-(3,5-diacetamido-2,4,6-triiodophenyl)-2-nitrobenzoic acid IUPAC Name: 4-(3,5-diacetamido-2,4,6-triiodophenyl)-2-nitrobenzoic acid Traditional Name: 4-(3,5-diacetamido-2,4,6-triiodo-phenyl)-2-nitro-benzoic acid Formula: C17H12I3N3O6 MolecularWeight: 735.00709

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-])I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-])I)NC(=O)C)I

InChI

InChI=1S/C17H12I3N3O6/c1-6(24)21-15-12(18)11(13(19)16(14(15)20)22-7(2)25)8-3-4-9(17(26)27)10(5-8)23(28)29/h3-5H,1-2H3,(H,21,24)(H,22,25)(H,26,27)