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

Systemtic Name: 3-nitro-N-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide Openeye Name: 3-nitro-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide CAS Name: 3-nitro-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide IUPAC Name: 3-nitro-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide Traditional Name: N-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-nitro-benzamide Formula: C19H14N6O4 MolecularWeight: 390.35226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O4/c26-18(12-5-4-8-14(9-12)25(28)29)20-11-16-22-17-15(19(27)23-16)10-21-24(17)13-6-2-1-3-7-13/h1-10,21H,11H2,(H,20,26)