1-(3-nitrophenyl)-2-[2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone hydrobromide

Systemtic Name: 1-(3-nitrophenyl)-2-[2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone hydrobromide Openeye Name: 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone hydrobromide CAS Name: 2-[2-(3-hydroxypropylamino)-1-benzimidazolyl]-1-(3-nitrophenyl)ethanone hydrobromide IUPAC Name: 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone hydrobromide Traditional Name: 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone hydrobromide Formula: C18H19BrN4O4 MolecularWeight: 435.27186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-])NCCCO.Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-])NCCCO.Br

InChI

InChI=1S/C18H18N4O4.BrH/c23-10-4-9-19-18-20-15-7-1-2-8-16(15)21(18)12-17(24)13-5-3-6-14(11-13)22(25)26;/h1-3,5-8,11,23H,4,9-10,12H2,(H,19,20);1H