ethyl 1-(4-nitrophenyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 1-(4-nitrophenyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 1-(4-nitrophenyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1-(4-nitrophenyl)-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1-(4-nitrophenyl)-4,6-diphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 1-(4-nitrophenyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C26H21BF4N2O4 MolecularWeight: 512.260553

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H21N2O4.BF4/c1-2-32-26(29)25-18-21(19-9-5-3-6-10-19)17-24(20-11-7-4-8-12-20)27(25)22-13-15-23(16-14-22)28(30)31;2-1(3,4)5/h3-18H,2H2,1H3;/q+1;-1