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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H32N4O6 MolecularWeight: 484.54478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O6/c30-22(26-24(32)27-25-12-16-9-17(13-25)11-18(10-16)14-25)15-35-23(31)19-5-7-28(8-6-19)20-3-1-2-4-21(20)29(33)34/h1-4,16-19H,5-15H2,(H2,26,27,30,32)