[(1S)-2-oxidanylidenecyclohexyl] 3-nitrobenzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-nitrobenzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO5/c15-11-6-1-2-7-12(11)19-13(16)9-4-3-5-10(8-9)14(17)18/h3-5,8,12H,1-2,6-7H2/t12-/m0/s1