2-[4-(3-iodanylphenyl)-6-oxidanylidene-1,3-oxazin-2-yl]-6-nitro-phenolate

Systemtic Name: 2-[4-(3-iodanylphenyl)-6-oxidanylidene-1,3-oxazin-2-yl]-6-nitro-phenolate Openeye Name: 2-[4-(3-iodophenyl)-6-oxo-1,3-oxazin-2-yl]-6-nitro-phenolate CAS Name: 2-[4-(3-iodophenyl)-6-oxo-1,3-oxazin-2-yl]-6-nitrophenolate IUPAC Name: 2-[4-(3-iodophenyl)-6-oxo-1,3-oxazin-2-yl]-6-nitrophenolate Traditional Name: 2-[4-(3-iodophenyl)-6-keto-1,3-oxazin-2-yl]-6-nitro-phenolate Formula: C16H8IN2O5- MolecularWeight: 435.14959

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C2=CC(=O)OC(=N2)C3=C(C(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC(=C1)I)C2=CC(=O)OC(=N2)C3=C(C(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H9IN2O5/c17-10-4-1-3-9(7-10)12-8-14(20)24-16(18-12)11-5-2-6-13(15(11)21)19(22)23/h1-8,21H/p-1