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

Systemtic Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)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 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H17BrN4O5 MolecularWeight: 473.27678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NN=C(O3)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NN=C(O3)C4=CC=CC=C4Br

InChI

InChI=1S/C20H17BrN4O5/c21-16-6-2-1-5-14(16)19-23-22-18(30-19)12-29-20(26)15-11-13(25(27)28)7-8-17(15)24-9-3-4-10-24/h1-2,5-8,11H,3-4,9-10,12H2