(phenylmethyl) (2S)-2-[6-(5-nitrofuran-2-yl)-1H-benzimidazol-2-yl]-2,3-dihydroindole-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[6-(5-nitrofuran-2-yl)-1H-benzimidazol-2-yl]-2,3-dihydroindole-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(5-nitro-2-furyl)-1H-benzimidazol-2-yl]indoline-1-carboxylate CAS Name: (2S)-2-[6-(5-nitro-2-furanyl)-1H-benzimidazol-2-yl]-2,3-dihydroindole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[6-(5-nitrofuran-2-yl)-1H-benzimidazol-2-yl]-2,3-dihydroindole-1-carboxylate Traditional Name: (2S)-2-[6-(5-nitro-2-furyl)-1H-benzimidazol-2-yl]indoline-1-carboxylic acid benzyl ester Formula: C27H20N4O5 MolecularWeight: 480.4715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)C6=CC=C(O6)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](N(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)C6=CC=C(O6)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O5/c32-27(35-16-17-6-2-1-3-7-17)30-22-9-5-4-8-18(22)15-23(30)26-28-20-11-10-19(14-21(20)29-26)24-12-13-25(36-24)31(33)34/h1-14,23H,15-16H2,(H,28,29)/t23-/m0/s1