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

Systemtic Name: 2-[4-(furan-2-ylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-[4-(2-furylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-[4-(2-furanylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-[4-(furan-2-ylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-[4-(2-furfurylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Formula: C15H14BrN5O4 MolecularWeight: 408.20676

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNN2C=N[N+](=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=COC(=C1)CNN2C=N[N+](=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C15H14N5O4.BrH/c21-15(12-3-5-13(6-4-12)20(22)23)9-18-11-19(10-17-18)16-8-14-2-1-7-24-14;/h1-7,10-11,16H,8-9H2;1H/q+1;/p-1