(3-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl 4-cyanobenzoate

Systemtic Name: (3-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl 4-cyanobenzoate Openeye Name: (3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl ester IUPAC Name: (3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (3-cyano-7-keto-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl ester Formula: C16H9N5O3 MolecularWeight: 319.27436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)OCC2=CC(=O)N3C(=N2)C(=CN3)C#N

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OCC2=CC(=O)N3C(=N2)C(=CN3)C#N

InChI

InChI=1S/C16H9N5O3/c17-6-10-1-3-11(4-2-10)16(23)24-9-13-5-14(22)21-15(20-13)12(7-18)8-19-21/h1-5,8,19H,9H2