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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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