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

Systemtic Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H19BrN4O5 MolecularWeight: 487.30336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4Br)[N+](=O)[O-]

InChI

InChI=1S/C21H19BrN4O5/c22-16-7-3-2-6-15(16)20-24-23-19(31-20)13-30-21(27)14-8-9-17(18(12-14)26(28)29)25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11,13H2