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

Systemtic Name: [(1R,2R)-2-acetyloxy-1-ethanoyl-cyclohex-3-en-1-yl] 4-nitrobenzoate Openeye Name: [(1R,2R)-2-acetoxy-1-acetyl-cyclohex-3-en-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2R)-1-acetyl-2-acetyloxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,2R)-1-acetyl-2-acetyloxycyclohex-3-en-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2R)-2-acetoxy-1-acetyl-cyclohex-3-en-1-yl] ester Formula: C17H17NO7 MolecularWeight: 347.31938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCC=CC1OC(=O)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO7/c1-11(19)17(10-4-3-5-15(17)24-12(2)20)25-16(21)13-6-8-14(9-7-13)18(22)23/h3,5-9,15H,4,10H2,1-2H3/t15-,17+/m1/s1