[(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [(1R)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [(2R)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [(1R)-2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-17(22(27)24(2)16-18-8-4-3-5-9-18)31-23(28)19-12-14-25(15-13-19)20-10-6-7-11-21(20)26(29)30/h3-11,17,19H,12-16H2,1-2H3/t17-/m1/s1