2-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]-1-(5-nitrofuran-2-yl)ethanone hydrobromide

Systemtic Name: 2-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]-1-(5-nitrofuran-2-yl)ethanone hydrobromide Openeye Name: 2-(3-benzyl-2-imino-benzimidazol-1-yl)-1-(5-nitro-2-furyl)ethanone hydrobromide CAS Name: 2-[2-imino-3-(phenylmethyl)-1-benzimidazolyl]-1-(5-nitro-2-furanyl)ethanone hydrobromide IUPAC Name: 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(5-nitrofuran-2-yl)ethanone hydrobromide Traditional Name: 2-(3-benzyl-2-imino-benzimidazol-1-yl)-1-(5-nitro-2-furyl)ethanone hydrobromide Formula: C20H17BrN4O4 MolecularWeight: 457.27738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(O4)[N+](=O)[O-].Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(O4)[N+](=O)[O-].Br

InChI

InChI=1S/C20H16N4O4.BrH/c21-20-22(12-14-6-2-1-3-7-14)15-8-4-5-9-16(15)23(20)13-17(25)18-10-11-19(28-18)24(26)27;/h1-11,21H,12-13H2;1H