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

Systemtic Name: 4-[[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzamide Openeye Name: 4-[[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzamide CAS Name: 4-[[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]methyl]benzamide IUPAC Name: 4-[[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzamide Traditional Name: 4-[[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzamide Formula: C19H14N6O4 MolecularWeight: 390.35226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O4/c20-17(26)13-7-5-12(6-8-13)10-23-11-21-18-14(19(23)27)9-22-24(18)15-3-1-2-4-16(15)25(28)29/h1-9,11H,10H2,(H2,20,26)