(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(furan-2-carbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(2-furoylamino)-4,5-dimethoxy-benzoic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C23H20N3O7+ MolecularWeight: 450.4208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)NC(=O)C4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)NC(=O)C4=CC=CO4)OC

InChI

InChI=1S/C23H19N3O7/c1-30-18-11-15(16(12-19(18)31-2)25-22(28)17-6-5-9-32-17)23(29)33-13-14-10-21(27)26-8-4-3-7-20(26)24-14/h3-12H,13H2,1-2H3,(H,25,28,29)/p+1