2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide

Systemtic Name: 2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide Openeye Name: 2-[4-(2-furyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide CAS Name: 2-[4-(2-furanyl)-1-pyrimidin-1-iumyl]-1-(2-nitrophenyl)ethanone bromide IUPAC Name: 2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide Traditional Name: 2-[4-(2-furyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide Formula: C16H12BrN3O4 MolecularWeight: 390.18818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CO3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CO3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C16H12N3O4.BrH/c20-15(12-4-1-2-5-14(12)19(21)22)10-18-8-7-13(17-11-18)16-6-3-9-23-16;/h1-9,11H,10H2;1H/q+1;/p-1