[(1S)-2-oxidanylidenecyclohexyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C15H17NO7 MolecularWeight: 323.29798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC2CCCCC2=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O[C@H]2CCCCC2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C15H17NO7/c1-21-13-7-9(10(16(19)20)8-14(13)22-2)15(18)23-12-6-4-3-5-11(12)17/h7-8,12H,3-6H2,1-2H3/t12-/m0/s1