(3,3-dimethyl-2-oxidanylidene-butyl) 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic 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)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5/c1-18(2,3)16(21)12-25-17(22)13-8-10-19(11-9-13)14-6-4-5-7-15(14)20(23)24/h4-7,13H,8-12H2,1-3H3