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

Systemtic Name: 3-[[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzonitrile CAS Name: 3-[[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 3-[[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzonitrile Traditional Name: 3-[[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzonitrile Formula: C19H12N6O3 MolecularWeight: 372.33698

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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=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H12N6O3/c20-9-13-4-3-5-14(8-13)11-23-12-21-18-15(19(23)26)10-22-24(18)16-6-1-2-7-17(16)25(27)28/h1-8,10,12H,11H2