(3,3-dimethyl-2-oxidanylidene-butyl) 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-18(2,3)16(21)12-25-17(22)14-11-13(20(23)24)7-8-15(14)19-9-5-4-6-10-19/h7-8,11H,4-6,9-10,12H2,1-3H3