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

Systemtic Name: 1-[2-[3-(4-methoxy-3-nitro-phenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[2-[3-(4-methoxy-3-nitro-phenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[2-[3-(4-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[2-[3-(4-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[2-[3-(4-methoxy-3-nitro-phenyl)-1,2,4-oxadiazol-5-yl]piperazino]-2-phenoxy-ethanone Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C3CNCCN3C(=O)COC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C3CNCCN3C(=O)COC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6/c1-30-18-8-7-14(11-16(18)26(28)29)20-23-21(32-24-20)17-12-22-9-10-25(17)19(27)13-31-15-5-3-2-4-6-15/h2-8,11,17,22H,9-10,12-13H2,1H3