1-(4-nitrophenyl)-2-[2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone hydrobromide

Systemtic Name: 1-(4-nitrophenyl)-2-[2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone hydrobromide Openeye Name: 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-nitrophenyl)ethanone hydrobromide CAS Name: 2-[2-(3-hydroxypropylamino)-1-benzimidazolyl]-1-(4-nitrophenyl)ethanone hydrobromide IUPAC Name: 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-nitrophenyl)ethanone hydrobromide Traditional Name: 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-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=C(C=C3)[N+](=O)[O-])NCCCO.Br

Isomeric SMILES

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

InChI

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