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

Systemtic Name: 2-[1-(4-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanenitrile Openeye Name: 2-[1-(4-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile CAS Name: 2-[1-(4-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[1-(4-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Traditional Name: 2-[4-keto-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Formula: C13H8N6O3 MolecularWeight: 296.24102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=C(C=N2)C(=O)N(C=N3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C3=C(C=N2)C(=O)N(C=N3)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H8N6O3/c14-5-6-17-8-15-12-11(13(17)20)7-16-18(12)9-1-3-10(4-2-9)19(21)22/h1-4,7-8H,6H2