4-[(4R)-3-methyl-1-(6-oxidanidylpyridazin-3-yl)-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate

Systemtic Name: 4-[(4R)-3-methyl-1-(6-oxidanidylpyridazin-3-yl)-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Openeye Name: 4-[(4R)-3-methyl-1-(6-oxidopyridazin-3-yl)-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate CAS Name: 4-[(4R)-3-methyl-1-(6-oxido-3-pyridazinyl)-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate IUPAC Name: 4-[(4R)-3-methyl-1-(6-oxidopyridazin-3-yl)-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Traditional Name: 4-[(4R)-6-keto-3-methyl-1-(6-oxidopyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Formula: C18H13N5O4-2 MolecularWeight: 363.32692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CC(=O)N=C2N(N1)C3=NN=C(C=C3)[O-])C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=C2[C@H](CC(=O)N=C2N(N1)C3=NN=C(C=C3)[O-])C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C18H15N5O4/c1-9-16-12(10-2-4-11(5-3-10)18(26)27)8-15(25)19-17(16)23(22-9)13-6-7-14(24)21-20-13/h2-7,12,22H,8H2,1H3,(H,21,24)(H,26,27)/p-2/t12-/m1/s1