[5-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [5-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-hydroxy-5-(5-iodo-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-hydroxy-5-(5-iodo-2,4-diketo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C16H14IN3O8 MolecularWeight: 503.20213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=O)NC2=O)I)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C(C(OC1N2C=C(C(=O)NC2=O)I)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H14IN3O8/c17-10-6-19(16(24)18-14(10)22)13-5-11(21)12(28-13)7-27-15(23)8-1-3-9(4-2-8)20(25)26/h1-4,6,11-13,21H,5,7H2,(H,18,22,24)