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

Systemtic Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H19ClN4O5 MolecularWeight: 442.85236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O5/c22-15-6-4-14(5-7-15)20-24-23-19(31-20)13-30-21(27)17-12-16(26(28)29)8-9-18(17)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2