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

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c25-19(21-13-16-5-1-4-8-20(16)30-21)14-29-22(26)15-9-11-23(12-10-15)17-6-2-3-7-18(17)24(27)28/h1-8,13,15H,9-12,14H2