[2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O5/c27-22(24-12-16-9-17(13-24)11-18(10-16)14-24)15-31-23(28)19-5-7-25(8-6-19)20-3-1-2-4-21(20)26(29)30/h1-4,16-19H,5-15H2