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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(trifluoromethyloxy)benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic 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 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H10BrF3N2O4 MolecularWeight: 443.17151

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)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