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

Systemtic Name: 3-methyl-5-[[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C23H16N8O3 MolecularWeight: 452.42494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C23H16N8O3/c1-15-17(11-24)21(29(27-15)16-7-3-2-4-8-16)13-28-14-25-22-18(23(28)32)12-26-30(22)19-9-5-6-10-20(19)31(33)34/h2-10,12,14H,13H2,1H3