(4-oxidanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl benzoate

Systemtic Name: (4-oxidanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl benzoate Openeye Name: (4-oxo-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl benzoate CAS Name: benzoic acid (4-oxo-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl benzoate Traditional Name: benzoic acid (4-keto-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl ester Formula: C13H11N4O3+ MolecularWeight: 271.25144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC[N+]2=CC3=C(N2)NC=NC3=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[N+]2=CC3=C(N2)NC=NC3=O

InChI

InChI=1S/C13H10N4O3/c18-12-10-6-17(16-11(10)14-7-15-12)8-20-13(19)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15,16,18)/p+1