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

Systemtic Name: ethyl 6-methyl-2,2-diphenyl-4-(trifluoromethyl)-1-oxa-3-azonia-2-boranuidacyclohexa-3,5-diene-5-carboxylate Openeye Name: ethyl 6-methyl-2,2-diphenyl-4-(trifluoromethyl)-1-oxa-3-azonia-2-boranuidacyclohexa-3,5-diene-5-carboxylate CAS Name: 6-methyl-2,2-diphenyl-4-(trifluoromethyl)-1-oxa-3-azonia-2-boranuidacyclohexa-3,5-diene-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2,2-diphenyl-4-(trifluoromethyl)-1-oxa-3-azonia-2-boranuidacyclohexa-3,5-diene-5-carboxylate Traditional Name: 6-methyl-2,2-diphenyl-4-(trifluoromethyl)-1-oxa-3-azonia-2-boranuidacyclohexa-3,5-diene-5-carboxylic acid ethyl ester Formula: C20H19BF3NO3 MolecularWeight: 389.17597

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Descriptors Computed from Structure

Canonical SMILES:

[B-]1([NH+]=C(C(=C(O1)C)C(=O)OCC)C(F)(F)F)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

[B-]1([NH+]=C(C(=C(O1)C)C(=O)OCC)C(F)(F)F)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H19BF3NO3/c1-3-27-19(26)17-14(2)28-21(15-10-6-4-7-11-15,16-12-8-5-9-13-16)25-18(17)20(22,23)24/h4-13,25H,3H2,1-2H3