[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6/c1-30-17-8-5-15(6-9-17)21-24-23-20(32-21)14-31-22(27)16-7-10-18(19(13-16)26(28)29)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14H2,1H3