2-chloranyl-N-[5-methyl-2-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[5-methyl-2-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[5-methyl-2-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[5-methyl-2-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-pyrazolyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[5-methyl-2-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[2-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-5-methyl-pyrazol-3-yl]-5-nitro-benzamide Formula: C22H15ClN8O4 MolecularWeight: 490.8587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C22H15ClN8O4/c1-12-9-18(25-20(32)15-10-14(31(34)35)7-8-17(15)23)30(28-12)22-26-19-16(21(33)27-22)11-24-29(19)13-5-3-2-4-6-13/h2-11,24H,1H3,(H,25,32)