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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-4-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H13N3O3/c1-11-3-2-8-19-14(20)9-13(18-15(11)19)10-22-16(21)12-4-6-17-7-5-12/h2-9H,10H2,1H3