(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O5/c25-20(28-13-18-21-19(22-29-18)14-6-2-1-3-7-14)16-12-15(24(26)27)8-9-17(16)23-10-4-5-11-23/h1-3,6-9,12H,4-5,10-11,13H2