(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C15H9BrClN3O3 MolecularWeight: 394.60726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1Cl)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Cl)COC(=O)C3=CC(=CN=C3)Br

InChI

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