[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O5/c1-15(22(27)18-14-24-19-7-3-2-6-17(18)19)31-23(28)16-10-12-25(13-11-16)20-8-4-5-9-21(20)26(29)30/h2-9,14-16,24H,10-13H2,1H3