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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3,4-diethoxybenzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic 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 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)OCC

InChI

InChI=1S/C20H19BrN2O5/c1-3-26-16-7-5-13(9-17(16)27-4-2)20(25)28-12-15-10-19(24)23-11-14(21)6-8-18(23)22-15/h5-11H,3-4,12H2,1-2H3