1-[[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol

Systemtic Name: 1-[[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol Openeye Name: 1-[[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol CAS Name: 1-[[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2-benzimidazolyl]amino]-2-propanol IUPAC Name: 1-[[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol Traditional Name: 1-[[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=CC=CC=C2N1CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)O

Isomeric SMILES

CC(CNC1=NC2=CC=CC=C2N1CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)O

InChI

InChI=1S/C19H20N4O5/c1-12(24)8-20-19-21-16-4-2-3-5-17(16)22(19)9-13-6-15(23(25)26)7-14-10-27-11-28-18(13)14/h2-7,12,24H,8-11H2,1H3,(H,20,21)