(3-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (3-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic 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 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (3-cyano-7-keto-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl ester Formula: C18H12N4O4 MolecularWeight: 348.31228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC(=O)N4C(=N3)C(=CN4)C#N

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC(=O)N4C(=N3)C(=CN4)C#N

InChI

InChI=1S/C18H12N4O4/c1-10-13-4-2-3-5-14(13)26-16(10)18(24)25-9-12-6-15(23)22-17(21-12)11(7-19)8-20-22/h2-6,8,20H,9H2,1H3