3-ethoxycarbonyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-8-diazonium tetrafluoroborate

Systemtic Name: 3-ethoxycarbonyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-8-diazonium tetrafluoroborate Openeye Name: 3-ethoxycarbonyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-8-diazonium tetrafluoroborate CAS Name: 3-ethoxycarbonyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-8-diazonium tetrafluoroborate IUPAC Name: 3-ethoxycarbonyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-8-diazonium tetrafluoroborate Traditional Name: 3-carbethoxy-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-8-diazonium tetrafluoroborate Formula: C15H14BF4N5O3 MolecularWeight: 399.107973

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)[N+]#N)C

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)[N+]#N)C

InChI

InChI=1S/C15H14N5O3.BF4/c1-3-23-15(22)13-12-7-19(2)14(21)10-6-9(18-16)4-5-11(10)20(12)8-17-13;2-1(3,4)5/h4-6,8H,3,7H2,1-2H3;/q+1;-1