(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-nitrofuran-2-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-nitrofuran-2-carboxylate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C14H9BrN3O6+ MolecularWeight: 395.14176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=[N+](C=C1Br)C(=O)C=C(N2)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=[N+](C=C1Br)C(=O)C=C(N2)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C14H8BrN3O6/c15-8-1-3-11-16-9(5-12(19)17(11)6-8)7-23-14(20)10-2-4-13(24-10)18(21)22/h1-6H,7H2/p+1