[1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5/c1-14(2)23(15(3)4)20(25)16(5)29-21(26)17-10-12-22(13-11-17)18-8-6-7-9-19(18)24(27)28/h6-9,14-17H,10-13H2,1-5H3