2-[4-[2-azanyl-6-(4-bromophenyl)-3-cyano-pyridin-1-ium-4-yl]phenoxy]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-[2-azanyl-6-(4-bromophenyl)-3-cyano-pyridin-1-ium-4-yl]phenoxy]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-[2-amino-6-(4-bromophenyl)-3-cyano-pyridin-1-ium-4-yl]phenoxy]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-[2-amino-6-(4-bromophenyl)-3-cyano-4-pyridin-1-iumyl]phenoxy]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-[2-amino-6-(4-bromophenyl)-3-cyanopyridin-1-ium-4-yl]phenoxy]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-[2-amino-6-(4-bromophenyl)-3-cyano-pyridin-1-ium-4-yl]phenoxy]-N-(3-nitrophenyl)acetamide Formula: C26H19BrN5O4+ MolecularWeight: 545.36416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC2=CC=C(C=C2)C3=CC(=[NH+]C(=C3C#N)N)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC2=CC=C(C=C2)C3=CC(=[NH+]C(=C3C#N)N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H18BrN5O4/c27-18-8-4-17(5-9-18)24-13-22(23(14-28)26(29)31-24)16-6-10-21(11-7-16)36-15-25(33)30-19-2-1-3-20(12-19)32(34)35/h1-13H,15H2,(H2,29,31)(H,30,33)/p+1