4-nitro-2-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)carbonylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)carbonylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]phenolate CAS Name: 4-nitro-2-[[[oxo-(1,3,6-trimethyl-4-pyrazolo[3,4-b]pyridinyl)methyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]phenolate Traditional Name: 4-nitro-2-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]phenolate Formula: C17H16N5O4- MolecularWeight: 354.34004

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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)/p-1