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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N5O4/c1-10(2)21-16-12(9-20-21)5-13(8-18-16)17(24)19-7-11-6-14(22(25)26)3-4-15(11)23/h3-6,8-10,23H,7H2,1-2H3,(H,19,24)