5-bromanyl-N-[1-[3-(dicyanomethylidene)-4H-quinoxalin-2-yl]pyridin-1-ium-3-yl]furan-2-carboximidate

Systemtic Name: 5-bromanyl-N-[1-[3-(dicyanomethylidene)-4H-quinoxalin-2-yl]pyridin-1-ium-3-yl]furan-2-carboximidate Openeye Name: 5-bromo-N-[1-[3-(dicyanomethylene)-4H-quinoxalin-2-yl]pyridin-1-ium-3-yl]furan-2-carboximidate CAS Name: 5-bromo-N-[1-[3-(dicyanomethylidene)-4H-quinoxalin-2-yl]-3-pyridin-1-iumyl]-2-furancarboximidate IUPAC Name: 5-bromo-N-[1-[3-(dicyanomethylidene)-4H-quinoxalin-2-yl]pyridin-1-ium-3-yl]furan-2-carboximidate Traditional Name: 5-bromo-N-[1-[3-(dicyanomethylene)-4H-quinoxalin-2-yl]pyridin-1-ium-3-yl]furan-2-carboximidate Formula: C21H11BrN6O2 MolecularWeight: 459.25504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C#N)C(=N2)[N+]3=CC=CC(=C3)N=C(C4=CC=C(O4)Br)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C#N)C(=N2)[N+]3=CC=CC(=C3)N=C(C4=CC=C(O4)Br)[O-]

InChI

InChI=1S/C21H11BrN6O2/c22-18-8-7-17(30-18)21(29)25-14-4-3-9-28(12-14)20-19(13(10-23)11-24)26-15-5-1-2-6-16(15)27-20/h1-9,12,26H