(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic 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-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H14BrClN2O5 MolecularWeight: 453.67116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrClN2O5/c1-25-14-6-10(5-13(20)17(14)26-2)18(24)27-9-12-7-16(23)22-8-11(19)3-4-15(22)21-12/h3-8H,9H2,1-2H3