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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-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-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-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=CC2=NC(=CC(=O)N2C=C1Br)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Br)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

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