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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyanobenzoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC=C(C=C3)C#N)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC=C(C=C3)C#N)C=C1

InChI

InChI=1S/C18H13N3O3/c1-12-2-7-16-20-15(8-17(22)21(16)10-12)11-24-18(23)14-5-3-13(9-19)4-6-14/h2-8,10H,11H2,1H3