1,3,6-trimethyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 1,3,6-trimethyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1,3,6-trimethyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C17H17N5O4 MolecularWeight: 355.34798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N5O4/c1-9-6-13(15-10(2)20-21(3)16(15)19-9)17(24)18-8-11-7-12(22(25)26)4-5-14(11)23/h4-7,23H,8H2,1-3H3,(H,18,24)