dimethyl 1-pyridin-1-ium-1-yl-1-boranuidabicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarboxylate

Systemtic Name: dimethyl 1-pyridin-1-ium-1-yl-1-boranuidabicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarboxylate Openeye Name: dimethyl 1-pyridin-1-ium-1-yl-1-boranuidabicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarboxylate CAS Name: 1-(1-pyridin-1-iumyl)-1-boranuidabicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-pyridin-1-ium-1-yl-1-boranuidabicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarboxylate Traditional Name: 1-pyridin-1-ium-1-yl-1-boranuidabicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarboxylic acid dimethyl ester Formula: C16H16BNO4 MolecularWeight: 297.11354

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Descriptors Computed from Structure

Canonical SMILES:

[B-]12(C=CC(C=C1)C(=C2C(=O)OC)C(=O)OC)[N+]3=CC=CC=C3

Isomeric SMILES

[B-]12(C=CC(C=C1)C(=C2C(=O)OC)C(=O)OC)[N+]3=CC=CC=C3

InChI

InChI=1S/C16H16BNO4/c1-21-15(19)13-12-6-8-17(9-7-12,14(13)16(20)22-2)18-10-4-3-5-11-18/h3-12H,1-2H3