[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2C(CCCC2C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2C(CCCC2C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O6/c1-4-25-16-9-8-14(10-15(16)20(23)24)18(22)26-11-17(21)19-12(2)6-5-7-13(19)3/h8-10,12-13H,4-7,11H2,1-3H3