N-(3-methoxy-5-nitro-phenyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(3-methoxy-5-nitro-phenyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(3-methoxy-5-nitro-phenyl)-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(3-methoxy-5-nitrophenyl)-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(3-methoxy-5-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: 2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-methoxy-5-nitro-phenyl)acetamide Formula: C20H16N6O5 MolecularWeight: 420.37824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H16N6O5/c1-31-16-8-13(7-15(9-16)26(29)30)23-18(27)11-24-12-21-19-17(20(24)28)10-22-25(19)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,23,27)