[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C22H23FN2O5 MolecularWeight: 414.426823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H23FN2O5/c23-18-9-7-16(8-10-18)21(26)6-3-15-30-22(27)17-11-13-24(14-12-17)19-4-1-2-5-20(19)25(28)29/h1-2,4-5,7-10,17H,3,6,11-15H2