2-[2-[[2-(1-benzofuran-2-yl)-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl]iminomethyl]-4-bromanyl-phenoxy]ethanamide

Systemtic Name: 2-[2-[[2-(1-benzofuran-2-yl)-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl]iminomethyl]-4-bromanyl-phenoxy]ethanamide Openeye Name: 2-[2-[[2-(benzofuran-2-yl)-4-oxo-4aH-quinazolin-3-ium-3-yl]iminomethyl]-4-bromo-phenoxy]acetamide CAS Name: 2-[2-[[2-(2-benzofuranyl)-4-oxo-4aH-quinazolin-3-ium-3-yl]iminomethyl]-4-bromophenoxy]acetamide IUPAC Name: 2-[2-[[2-(1-benzofuran-2-yl)-4-oxo-4aH-quinazolin-3-ium-3-yl]iminomethyl]-4-bromophenoxy]acetamide Traditional Name: 2-[2-[[2-(benzofuran-2-yl)-4-keto-4aH-quinazolin-3-ium-3-yl]iminomethyl]-4-bromo-phenoxy]acetamide Formula: C25H18BrN4O4+ MolecularWeight: 518.33882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=[N+](C(=O)C4C=CC=CC4=N3)N=CC5=C(C=CC(=C5)Br)OCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=[N+](C(=O)C4C=CC=CC4=N3)N=CC5=C(C=CC(=C5)Br)OCC(=O)N

InChI

InChI=1S/C25H17BrN4O4/c26-17-9-10-20(33-14-23(27)31)16(11-17)13-28-30-24(22-12-15-5-1-4-8-21(15)34-22)29-19-7-3-2-6-18(19)25(30)32/h1-13,18H,14H2,(H-,27,31)/p+1