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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-4-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-4-carboxylate CAS Name: 4-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 pyridine-4-carboxylate Traditional Name: isonicotinic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C15H10BrN3O3 MolecularWeight: 360.1622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1Br)COC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Br)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C15H10BrN3O3/c16-11-1-2-13-18-12(7-14(20)19(13)8-11)9-22-15(21)10-3-5-17-6-4-10/h1-8H,9H2