3-nitro-2-(4-phenylmethoxyphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-nitro-2-(4-phenylmethoxyphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(4-benzyloxyphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-nitro-2-(4-phenylmethoxyphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-nitro-2-(4-phenylmethoxyphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(4-benzoxyphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H16N3O5+ MolecularWeight: 390.36884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5/c25-21-19(24(26)27)20(22-18-8-4-5-13-23(18)21)29-17-11-9-16(10-12-17)28-14-15-6-2-1-3-7-15/h1-13H,14H2/p+1