methyl 3-nitro-4-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]benzoate Openeye Name: methyl 3-nitro-4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]benzoate CAS Name: 3-nitro-4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]benzoate Traditional Name: 4-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]-3-nitro-benzoic acid methyl ester Formula: C17H14N3O6+ MolecularWeight: 356.30956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC2=CC(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC2=CC(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c1-25-17(22)11-5-6-14(13(8-11)20(23)24)26-10-12-9-16(21)19-7-3-2-4-15(19)18-12/h2-9H,10H2,1H3/p+1