4-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-iodanyl-6-nitro-phenolate

Systemtic Name: 4-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-iodanyl-6-nitro-phenolate Openeye Name: 4-[(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]-2-iodo-6-nitro-phenolate CAS Name: 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-iodo-6-nitrophenolate IUPAC Name: 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-iodo-6-nitrophenolate Traditional Name: 2-iodo-6-nitro-4-[(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-ylidene)methyl]phenolate Formula: C13H9IN3O6- MolecularWeight: 430.13153

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C(=C2)I)[O-])[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C(=C2)I)[O-])[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C13H10IN3O6/c1-15-11(19)7(12(20)16(2)13(15)21)3-6-4-8(14)10(18)9(5-6)17(22)23/h3-5,18H,1-2H3/p-1