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

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-oxidanylbenzoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic 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-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H13N2O4+ MolecularWeight: 297.28542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4/c19-13-6-2-1-5-12(13)16(21)22-10-11-9-15(20)18-8-4-3-7-14(18)17-11/h1-9H,10H2,(H,19,21)/p+1