2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: N-(3-nitrophenyl)-2-[4-oxo-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: 2-[1-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-keto-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]-N-(3-nitrophenyl)acetamide Formula: C20H16N6O4 MolecularWeight: 404.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O4/c1-13-5-7-15(8-6-13)25-19-17(10-22-25)20(28)24(12-21-19)11-18(27)23-14-3-2-4-16(9-14)26(29)30/h2-10,12H,11H2,1H3,(H,23,27)