(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NOC(=C2)C3=CC=CS3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NOC(=C2)C3=CC=CS3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c24-20(27-13-15-12-18(28-21-15)19-6-3-11-29-19)14-7-9-22(10-8-14)16-4-1-2-5-17(16)23(25)26/h1-6,11-12,14H,7-10,13H2