2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)-1-(2-nitrophenyl)ethanone bromide

Systemtic Name: 2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)-1-(2-nitrophenyl)ethanone bromide Openeye Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-nitrophenyl)ethanone bromide CAS Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-nitrophenyl)ethanone bromide IUPAC Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-nitrophenyl)ethanone bromide Traditional Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-nitrophenyl)ethanone bromide Formula: C10H10BrN5O3 MolecularWeight: 328.1221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N5O3.BrH/c11-13-6-12-14(7-13)5-10(16)8-3-1-2-4-9(8)15(17)18;/h1-4,6-7H,5,11H2;1H/q+1;/p-1