[(1R,3S)-3-acetyloxy-2-(1,3-dioxan-2-ylmethyl)-2-nitro-cyclohexyl] ethanoate

Systemtic Name: [(1R,3S)-3-acetyloxy-2-(1,3-dioxan-2-ylmethyl)-2-nitro-cyclohexyl] ethanoate Openeye Name: [(1R,3S)-3-acetoxy-2-(1,3-dioxan-2-ylmethyl)-2-nitro-cyclohexyl] acetate CAS Name: acetic acid [(1R,3S)-3-acetyloxy-2-(1,3-dioxan-2-ylmethyl)-2-nitrocyclohexyl] ester IUPAC Name: [(1R,3S)-3-acetyloxy-2-(1,3-dioxan-2-ylmethyl)-2-nitrocyclohexyl] acetate Traditional Name: acetic acid [(1R,3S)-3-acetoxy-2-(1,3-dioxan-2-ylmethyl)-2-nitro-cyclohexyl] ester Formula: C15H23NO8 MolecularWeight: 345.34502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC(C1(CC2OCCCO2)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1CCC[C@@H](C1(CC2OCCCO2)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C15H23NO8/c1-10(17)23-12-5-3-6-13(24-11(2)18)15(12,16(19)20)9-14-21-7-4-8-22-14/h12-14H,3-9H2,1-2H3/t12-,13+,15?