(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic 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 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H17BrN2O6 MolecularWeight: 449.25208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)OC)OC

InChI

InChI=1S/C19H17BrN2O6/c1-25-14-6-5-13(17(26-2)18(14)27-3)19(24)28-10-12-8-16(23)22-9-11(20)4-7-15(22)21-12/h4-9H,10H2,1-3H3