1-[(Z)-1-(5-nitrofuran-2-yl)-2-(5-phenylfuran-2-yl)ethenyl]pyridin-1-ium bromide

Systemtic Name: 1-[(Z)-1-(5-nitrofuran-2-yl)-2-(5-phenylfuran-2-yl)ethenyl]pyridin-1-ium bromide Openeye Name: 1-[(Z)-1-(5-nitro-2-furyl)-2-(5-phenyl-2-furyl)vinyl]pyridin-1-ium bromide CAS Name: 1-[(Z)-1-(5-nitro-2-furanyl)-2-(5-phenyl-2-furanyl)ethenyl]pyridin-1-ium bromide IUPAC Name: 1-[(Z)-1-(5-nitrofuran-2-yl)-2-(5-phenylfuran-2-yl)ethenyl]pyridin-1-ium bromide Traditional Name: 1-[(Z)-1-(5-nitro-2-furyl)-2-(5-phenyl-2-furyl)vinyl]pyridin-1-ium bromide Formula: C21H15BrN2O4 MolecularWeight: 439.2588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(O2)C=C(C3=CC=C(O3)[N+](=O)[O-])[N+]4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C3=CC=C(O3)[N+](=O)[O-])\[N+]4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H15N2O4.BrH/c24-23(25)21-12-11-20(27-21)18(22-13-5-2-6-14-22)15-17-9-10-19(26-17)16-7-3-1-4-8-16;/h1-15H;1H/q+1;/p-1/b18-15-;