1-[(2S)-2-[3-(4-methoxy-3-nitro-phenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[(2S)-2-[3-(4-methoxy-3-nitro-phenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[(2S)-2-[3-(4-methoxy-3-nitro-phenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-phenoxy-ethanone CAS Name: 1-[(2S)-2-[3-(4-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-2-phenoxyethanone IUPAC Name: 1-[(2S)-2-[3-(4-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone Traditional Name: 1-[(2S)-2-[3-(4-methoxy-3-nitro-phenyl)-1,2,4-oxadiazol-5-yl]piperidino]-2-phenoxy-ethanone Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C3CCCCN3C(=O)COC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)[C@@H]3CCCCN3C(=O)COC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6/c1-30-19-11-10-15(13-18(19)26(28)29)21-23-22(32-24-21)17-9-5-6-12-25(17)20(27)14-31-16-7-3-2-4-8-16/h2-4,7-8,10-11,13,17H,5-6,9,12,14H2,1H3/t17-/m0/s1