ethyl 4-methyl-2,2-diphenyl-6-(trifluoromethyl)-3-aza-1-azonia-2-boranuidacyclohexa-4,6-diene-5-carboxylate

Systemtic Name: ethyl 4-methyl-2,2-diphenyl-6-(trifluoromethyl)-3-aza-1-azonia-2-boranuidacyclohexa-4,6-diene-5-carboxylate Openeye Name: ethyl 4-methyl-2,2-diphenyl-6-(trifluoromethyl)-3-aza-1-azonia-2-boranuidacyclohexa-4,6-diene-5-carboxylate CAS Name: 4-methyl-2,2-diphenyl-6-(trifluoromethyl)-3-aza-1-azonia-2-boranuidacyclohexa-4,6-diene-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2,2-diphenyl-6-(trifluoromethyl)-3-aza-1-azonia-2-boranuidacyclohexa-4,6-diene-5-carboxylate Traditional Name: 4-methyl-2,2-diphenyl-6-(trifluoromethyl)-3-aza-1-azonia-2-boranuidacyclohexa-4,6-diene-5-carboxylic acid ethyl ester Formula: C20H20BF3N2O2 MolecularWeight: 388.19121

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Descriptors Computed from Structure

Canonical SMILES:

[B-]1(NC(=C(C(=[NH+]1)C(F)(F)F)C(=O)OCC)C)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

[B-]1(NC(=C(C(=[NH+]1)C(F)(F)F)C(=O)OCC)C)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H20BF3N2O2/c1-3-28-19(27)17-14(2)25-21(15-10-6-4-7-11-15,16-12-8-5-9-13-16)26-18(17)20(22,23)24/h4-13,25-26H,3H2,1-2H3