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

Systemtic Name: methyl 5-[[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylate CAS Name: 5-[[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H13N5O6 MolecularWeight: 395.32572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O6/c1-28-18(25)15-7-6-11(29-15)9-21-10-19-16-12(17(21)24)8-20-22(16)13-4-2-3-5-14(13)23(26)27/h2-8,10H,9H2,1H3