methyl 3-(4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)propanoate

Systemtic Name: methyl 3-(4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)propanoate Openeye Name: methyl 3-(4-hydroxy-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)propanoate CAS Name: 3-(4-hydroxy-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-hydroxy-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)propanoate Traditional Name: 3-(4-hydroxy-2-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)propionic acid methyl ester Formula: C12H13N2O4+ MolecularWeight: 249.24262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C([N+]2=CC=CC=C2NC1=O)O

Isomeric SMILES

COC(=O)CCC1=C([N+]2=CC=CC=C2NC1=O)O

InChI

InChI=1S/C12H12N2O4/c1-18-10(15)6-5-8-11(16)13-9-4-2-3-7-14(9)12(8)17/h2-4,7H,5-6H2,1H3,(H,16,17)/p+1