methyl 4-[(5-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoate

Systemtic Name: methyl 4-[(5-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoate Openeye Name: methyl 4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoate CAS Name: 4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoate Traditional Name: 4-[(5-keto-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoic acid methyl ester Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)CCN3C2=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)CCN3C2=CC=N3

InChI

InChI=1S/C15H15N3O3/c1-21-15(20)12-4-2-11(3-5-12)10-17-13-6-8-16-18(13)9-7-14(17)19/h2-6,8H,7,9-10H2,1H3