5-(2-fluorophenyl)-3,3-dimethyl-2-oxidanylidene-1H-1,4-benzodiazepine-7-diazonium tetrafluoroborate

Systemtic Name: 5-(2-fluorophenyl)-3,3-dimethyl-2-oxidanylidene-1H-1,4-benzodiazepine-7-diazonium tetrafluoroborate Openeye Name: 5-(2-fluorophenyl)-3,3-dimethyl-2-oxo-1H-1,4-benzodiazepine-7-diazonium tetrafluoroborate CAS Name: 5-(2-fluorophenyl)-3,3-dimethyl-2-oxo-1H-1,4-benzodiazepine-7-diazonium tetrafluoroborate IUPAC Name: 5-(2-fluorophenyl)-3,3-dimethyl-2-oxo-1H-1,4-benzodiazepine-7-diazonium tetrafluoroborate Traditional Name: 5-(2-fluorophenyl)-2-keto-3,3-dimethyl-1H-1,4-benzodiazepine-7-diazonium tetrafluoroborate Formula: C17H14BF5N4O MolecularWeight: 396.122276

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1(C(=O)NC2=C(C=C(C=C2)[N+]#N)C(=N1)C3=CC=CC=C3F)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1(C(=O)NC2=C(C=C(C=C2)[N+]#N)C(=N1)C3=CC=CC=C3F)C

InChI

InChI=1S/C17H13FN4O.BF4/c1-17(2)16(23)20-14-8-7-10(22-19)9-12(14)15(21-17)11-5-3-4-6-13(11)18;2-1(3,4)5/h3-9H,1-2H3;/q;-1/p+1