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

Systemtic Name: 2-(4-imidazol-1-ylphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(4-imidazol-1-ylphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-(1-imidazolyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(4-imidazol-1-ylphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(4-imidazol-1-ylphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H12N5O4+ MolecularWeight: 350.30828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=C(C2=O)[N+](=O)[O-])OC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=C(C2=O)[N+](=O)[O-])OC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C17H11N5O4/c23-17-15(22(24)25)16(19-14-3-1-2-9-21(14)17)26-13-6-4-12(5-7-13)20-10-8-18-11-20/h1-11H/p+1