N-[5-methyl-2-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]-4-nitro-benzamide

Systemtic Name: N-[5-methyl-2-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]-4-nitro-benzamide Openeye Name: N-[5-methyl-2-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]-4-nitro-benzamide CAS Name: N-[5-methyl-2-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[5-methyl-2-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]-4-nitrobenzamide Traditional Name: N-[2-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-5-methyl-pyrazol-3-yl]-4-nitro-benzamide Formula: C22H16N8O4 MolecularWeight: 456.41364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C22H16N8O4/c1-13-11-18(24-20(31)14-7-9-16(10-8-14)30(33)34)29(27-13)22-25-19-17(21(32)26-22)12-23-28(19)15-5-3-2-4-6-15/h2-12,23H,1H3,(H,24,31)