(phenylmethyl) 2-[6-(5-nitrofuran-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[6-(5-nitrofuran-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[6-(5-nitro-2-furyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: 2-[6-(5-nitro-2-furanyl)-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(5-nitrofuran-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[6-(5-nitro-2-furyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H20N4O5 MolecularWeight: 432.4287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C5=CC=C(O5)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C5=CC=C(O5)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5/c28-23(31-14-15-5-2-1-3-6-15)26-12-4-7-19(26)22-24-17-9-8-16(13-18(17)25-22)20-10-11-21(32-20)27(29)30/h1-3,5-6,8-11,13,19H,4,7,12,14H2,(H,24,25)