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

Systemtic Name: 3-[1-(4-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile Openeye Name: 3-[1-(4-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile CAS Name: 3-[1-(4-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propanenitrile IUPAC Name: 3-[1-(4-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile Traditional Name: 3-[4-keto-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]propionitrile Formula: C14H10N6O3 MolecularWeight: 310.2676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N6O3/c15-6-1-7-18-9-16-13-12(14(18)21)8-17-19(13)10-2-4-11(5-3-10)20(22)23/h2-5,8-9H,1,7H2