2-[[2-(4-methoxyphenyl)-4-nitro-phenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[2-(4-methoxyphenyl)-4-nitro-phenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[2-(4-methoxyphenyl)-4-nitro-phenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[2-(4-methoxyphenyl)-4-nitrophenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[2-(4-methoxyphenyl)-4-nitrophenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[2-(4-methoxyphenyl)-4-nitro-phenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H18N3O5+ MolecularWeight: 404.39542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C22H17N3O5/c1-29-18-8-5-15(6-9-18)19-13-17(25(27)28)7-10-20(19)30-14-16-12-22(26)24-11-3-2-4-21(24)23-16/h2-13H,14H2,1H3/p+1