(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloranylpyridine-3-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloranylpyridine-3-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic 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 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C15H9BrClN3O3 MolecularWeight: 394.60726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrClN3O3/c16-10-2-4-13-19-11(5-14(21)20(13)7-10)8-23-15(22)9-1-3-12(17)18-6-9/h1-7H,8H2