(2-oxidanylidene-2-propan-2-yloxy-ethyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O6/c1-12(2)26-17(21)11-25-18(22)14-6-7-15(16(9-14)20(23)24)19-8-4-5-13(3)10-19/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3