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

Systemtic Name: [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [5-(2,5-dimethyl-3-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C20H20N4O6/c1-12-9-15(13(2)29-12)19-22-21-18(30-19)11-28-20(25)16-10-14(24(26)27)5-6-17(16)23-7-3-4-8-23/h5-6,9-10H,3-4,7-8,11H2,1-2H3