(4-oxidanylidene-4-thiophen-2-yl-butyl) 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCC(=O)C2=CC=CS2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCCCC(=O)C2=CC=CS2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c23-18(19-8-4-14-28-19)7-3-13-27-20(24)15-9-11-21(12-10-15)16-5-1-2-6-17(16)22(25)26/h1-2,4-6,8,14-15H,3,7,9-13H2