(4-nitrophenyl) 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate

Systemtic Name: (4-nitrophenyl) 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: (4-nitrophenyl) 2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetate CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetate Traditional Name: 2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid (4-nitrophenyl) ester Formula: C14H11N5O5 MolecularWeight: 329.26764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O5/c1-17-13-11(6-16-17)14(21)18(8-15-13)7-12(20)24-10-4-2-9(3-5-10)19(22)23/h2-6,8H,7H2,1H3