(2-oxidanylideneoxolan-3-yl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-oxidanylideneoxolan-3-yl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-oxotetrahydrofuran-3-yl) 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid (2-ketotetrahydrofuran-3-yl) ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC3CCOC3=O)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC3CCOC3=O)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N2O6/c1-11-7-12(2)10-19(9-11)14-4-3-13(8-15(14)20(23)24)17(21)26-16-5-6-25-18(16)22/h3-4,8,11-12,16H,5-7,9-10H2,1-2H3