[(3aR,4R,6R,6aR)-2,2-dimethyl-4-[3-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ethanoate

Systemtic Name: [(3aR,4R,6R,6aR)-2,2-dimethyl-4-[3-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ethanoate Openeye Name: [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(3-nitro-2,4-dioxo-pyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate CAS Name: acetic acid [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(3-nitro-2,4-dioxo-1-pyrimidinyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester IUPAC Name: [(3aR,4R,6R,6aR)-2,2-dimethyl-4-(3-nitro-2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate Traditional Name: acetic acid [(3aR,4R,6R,6aR)-4-(2,4-diketo-3-nitro-pyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester Formula: C14H17N3O9 MolecularWeight: 371.29948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C2C(C(O1)N3C=CC(=O)N(C3=O)[N+](=O)[O-])OC(O2)(C)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=CC(=O)N(C3=O)[N+](=O)[O-])OC(O2)(C)C

InChI

InChI=1S/C14H17N3O9/c1-7(18)23-6-8-10-11(26-14(2,3)25-10)12(24-8)15-5-4-9(19)16(13(15)20)17(21)22/h4-5,8,10-12H,6H2,1-3H3/t8-,10-,11-,12-/m1/s1