2,2-diethyl-6-nitro-9-oxidanidyl-1,3-dihydropyrrolo[3,4-b]quinoxaline-2,9-diium bromide

Systemtic Name: 2,2-diethyl-6-nitro-9-oxidanidyl-1,3-dihydropyrrolo[3,4-b]quinoxaline-2,9-diium bromide Openeye Name: 2,2-diethyl-6-nitro-9-oxido-1,3-dihydropyrrolo[3,4-b]quinoxaline-2,9-diium bromide CAS Name: 2,2-diethyl-6-nitro-9-oxido-1,3-dihydropyrrolo[3,4-b]quinoxaline-2,9-diium bromide IUPAC Name: 2,2-diethyl-6-nitro-9-oxido-1,3-dihydropyrrolo[3,4-b]quinoxaline-2,9-diium bromide Traditional Name: 2,2-diethyl-6-nitro-9-oxido-1,3-dihydropyrrolo[3,4-b]quinoxaline-2,9-diium bromide Formula: C14H17BrN4O3 MolecularWeight: 369.21378

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC2=NC3=C(C=CC(=C3)[N+](=O)[O-])[N+](=C2C1)[O-])CC.[Br-]

Isomeric SMILES

CC[N+]1(CC2=NC3=C(C=CC(=C3)[N+](=O)[O-])[N+](=C2C1)[O-])CC.[Br-]

InChI

InChI=1S/C14H17N4O3.BrH/c1-3-18(4-2)8-12-14(9-18)16(19)13-6-5-10(17(20)21)7-11(13)15-12;/h5-7H,3-4,8-9H2,1-2H3;1H/q+1;/p-1