[(1R,2R)-2-acetyloxy-1-methoxycarbonyl-cyclohex-3-en-1-yl] 4-nitrobenzoate

Systemtic Name: [(1R,2R)-2-acetyloxy-1-methoxycarbonyl-cyclohex-3-en-1-yl] 4-nitrobenzoate Openeye Name: [(1R,2R)-2-acetoxy-1-methoxycarbonyl-cyclohex-3-en-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2R)-2-acetyloxy-1-methoxycarbonyl-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,2R)-2-acetyloxy-1-methoxycarbonylcyclohex-3-en-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2R)-2-acetoxy-1-carbomethoxy-cyclohex-3-en-1-yl] ester Formula: C17H17NO8 MolecularWeight: 363.31878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=CCCC1(C(=O)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O[C@@H]1C=CCC[C@@]1(C(=O)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO8/c1-11(19)25-14-5-3-4-10-17(14,16(21)24-2)26-15(20)12-6-8-13(9-7-12)18(22)23/h3,5-9,14H,4,10H2,1-2H3/t14-,17-/m1/s1