(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C15H10BrN3O4 MolecularWeight: 376.1616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)[O-]

InChI

InChI=1S/C15H10BrN3O4/c16-10-4-5-13-17-11(7-14(20)18(13)8-10)9-23-15(21)12-3-1-2-6-19(12)22/h1-8H,9H2