1-(4-nitrophenyl)-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide

Systemtic Name: 1-(4-nitrophenyl)-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide Openeye Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide IUPAC Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C17H15BrN4O3 MolecularWeight: 403.23

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=[N+](C=N2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=[N+](C=N2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H15N4O3.BrH/c22-17(15-6-8-16(9-7-15)21(23)24)11-19-12-18-20(13-19)10-14-4-2-1-3-5-14;/h1-9,12-13H,10-11H2;1H/q+1;/p-1