[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-11-10-13(6-7-14(11)18(21)22)16(20)23-12(2)15(19)17-8-4-3-5-9-17/h6-7,10,12H,3-5,8-9H2,1-2H3/t12-/m1/s1