[(1S)-2-oxidanylidenecyclohexyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O6/c20-15-3-1-2-4-16(15)25-17(21)12-5-6-13(14(11-12)19(22)23)18-7-9-24-10-8-18/h5-6,11,16H,1-4,7-10H2/t16-/m0/s1