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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3CCCCC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O[C@H]3CCCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O5/c21-16-6-2-3-7-17(16)25-18(22)13-8-9-14(15(12-13)20(23)24)19-10-4-1-5-11-19/h8-9,12,17H,1-7,10-11H2/t17-/m0/s1