(E)-1-(4-nitrophenyl)-3-pyridin-1-ium-1-yl-prop-2-en-1-one tetrafluoroborate

Systemtic Name: (E)-1-(4-nitrophenyl)-3-pyridin-1-ium-1-yl-prop-2-en-1-one tetrafluoroborate Openeye Name: (E)-1-(4-nitrophenyl)-3-pyridin-1-ium-1-yl-prop-2-en-1-one tetrafluoroborate CAS Name: (E)-1-(4-nitrophenyl)-3-(1-pyridin-1-iumyl)-2-propen-1-one tetrafluoroborate IUPAC Name: (E)-1-(4-nitrophenyl)-3-pyridin-1-ium-1-ylprop-2-en-1-one tetrafluoroborate Traditional Name: (E)-1-(4-nitrophenyl)-3-pyridin-1-ium-1-yl-prop-2-en-1-one tetrafluoroborate Formula: C14H11BF4N2O3 MolecularWeight: 342.053353

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=[N+](C=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=[N+](C=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N2O3.BF4/c17-14(8-11-15-9-2-1-3-10-15)12-4-6-13(7-5-12)16(18)19;2-1(3,4)5/h1-11H;/q+1;-1/b11-8+;