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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=NN(C2=N1)C)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=C2C(=NN(C2=N1)C)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

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