O4-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] ester O1-ethyl ester IUPAC Name: 4-O-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] ester O1-ethyl ester Formula: C15H14BrN2O5+ MolecularWeight: 382.18606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Br

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Br

InChI

InChI=1S/C15H13BrN2O5/c1-2-22-14(20)5-6-15(21)23-9-11-7-13(19)18-8-10(16)3-4-12(18)17-11/h3-8H,2,9H2,1H3/p+1/b6-5+