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

Systemtic Name: 3-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile Openeye Name: 3-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile CAS Name: 3-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propanenitrile IUPAC Name: 3-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile Traditional Name: 3-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]propionitrile Formula: C14H10N6O3 MolecularWeight: 310.2676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N6O3/c15-6-3-7-18-9-16-13-10(14(18)21)8-17-19(13)11-4-1-2-5-12(11)20(22)23/h1-2,4-5,8-9H,3,7H2