1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-nitrophenoxy)ethanone

Systemtic Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-nitrophenoxy)ethanone Openeye Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-nitrophenoxy)ethanone CAS Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-nitrophenoxy)ethanone Traditional Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-2-(4-nitrophenoxy)ethanone Formula: C19H18N4O4 MolecularWeight: 366.37062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H18N4O4/c24-18(12-27-14-9-7-13(8-10-14)23(25)26)22-11-3-6-17(22)19-20-15-4-1-2-5-16(15)21-19/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,20,21)/t17-/m0/s1