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

Systemtic Name: methyl 4-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]benzoate Traditional Name: 4-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]benzoic acid methyl ester Formula: C17H14N3O4+ MolecularWeight: 324.31076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CNC3=CC=CC=[N+]3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CNC3=CC=CC=[N+]3C2=O

InChI

InChI=1S/C17H13N3O4/c1-24-17(23)11-5-7-12(8-6-11)19-15(21)13-10-18-14-4-2-3-9-20(14)16(13)22/h2-10H,1H3,(H,19,21,23)/p+1