2-bromanyl-N-[9-(trifluoromethyl)-12aH-acenaphthyleno[1,2-b]quinoxalin-12-ium-12-ylidene]ethanamide

Systemtic Name: 2-bromanyl-N-[9-(trifluoromethyl)-12aH-acenaphthyleno[1,2-b]quinoxalin-12-ium-12-ylidene]ethanamide Openeye Name: 2-bromo-N-[9-(trifluoromethyl)-12aH-acenaphthyleno[1,2-b]quinoxalin-12-ium-12-ylidene]acetamide CAS Name: 2-bromo-N-[9-(trifluoromethyl)-12aH-acenaphthyleno[1,2-b]quinoxalin-12-ium-12-ylidene]acetamide IUPAC Name: 2-bromo-N-[9-(trifluoromethyl)-12aH-acenaphthyleno[1,2-b]quinoxalin-12-ium-12-ylidene]acetamide Traditional Name: 2-bromo-N-[9-(trifluoromethyl)-12aH-acenaphtho[1,2-b]quinoxalin-12-ium-12-ylidene]acetamide Formula: C21H12BrF3N3O+ MolecularWeight: 459.23869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4C(=NC5=C([N+]4=NC(=O)CBr)C=CC(=C5)C(F)(F)F)C3=CC=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C4C(=NC5=C([N+]4=NC(=O)CBr)C=CC(=C5)C(F)(F)F)C3=CC=C2

InChI

InChI=1S/C21H12BrF3N3O/c22-10-17(29)27-28-16-8-7-12(21(23,24)25)9-15(16)26-19-13-5-1-3-11-4-2-6-14(18(11)13)20(19)28/h1-9,20H,10H2/q+1