2-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Formula: C20H11IN3O4- MolecularWeight: 484.22351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H12IN3O4/c21-14-5-1-3-12(9-14)20-23-16-10-15(7-8-18(16)28-20)22-11-13-4-2-6-17(19(13)25)24(26)27/h1-11,25H/p-1