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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(trifluoromethyloxy)benzoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic 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 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H11BrF3N2O4+ MolecularWeight: 444.17945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)OC(F)(F)F

InChI

InChI=1S/C17H10BrF3N2O4/c18-11-3-6-14-22-12(7-15(24)23(14)8-11)9-26-16(25)10-1-4-13(5-2-10)27-17(19,20)21/h1-8H,9H2/p+1