2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-[4-(2-furyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-[4-(2-furanyl)-1-pyrimidin-1-iumyl]-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-[4-(2-furyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Formula: C16H12BrN3O4 MolecularWeight: 390.18818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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