1-(benzimidazol-1-yl)-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: 1-(benzimidazol-1-yl)-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-(benzimidazol-1-yl)-3-(3-nitrophenoxy)propan-2-ol CAS Name: 1-(1-benzimidazolyl)-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-(benzimidazol-1-yl)-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-(benzimidazol-1-yl)-3-(3-nitrophenoxy)propan-2-ol Formula: C16H15N3O4 MolecularWeight: 313.308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H15N3O4/c20-13(9-18-11-17-15-6-1-2-7-16(15)18)10-23-14-5-3-4-12(8-14)19(21)22/h1-8,11,13,20H,9-10H2