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

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C20H18Cl2N2O5 MolecularWeight: 437.27332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H18Cl2N2O5/c21-14-5-6-15(16(22)11-14)19(25)12-29-20(26)13-7-9-23(10-8-13)17-3-1-2-4-18(17)24(27)28/h1-6,11,13H,7-10,12H2