(4-nitrophenyl) 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanoate bromide

Systemtic Name: (4-nitrophenyl) 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanoate bromide Openeye Name: (4-nitrophenyl) 2-[4-(4-pyridyl)pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-(4-pyridin-4-yl-1-pyridin-1-iumyl)acetic acid (4-nitrophenyl) ester bromide IUPAC Name: (4-nitrophenyl) 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)acetate bromide Traditional Name: 2-[4-(4-pyridyl)pyridin-1-ium-1-yl]acetic acid (4-nitrophenyl) ester bromide Formula: C18H14BrN3O4 MolecularWeight: 416.22546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N3O4.BrH/c22-18(25-17-3-1-16(2-4-17)21(23)24)13-20-11-7-15(8-12-20)14-5-9-19-10-6-14;/h1-12H,13H2;1H/q+1;/p-1