4-[3-methyl-6-oxidanylidene-1-(6-oxidanylidene-1H-pyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid

Systemtic Name: 4-[3-methyl-6-oxidanylidene-1-(6-oxidanylidene-1H-pyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid Openeye Name: 4-[3-methyl-6-oxo-1-(6-oxo-1H-pyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid CAS Name: 4-[3-methyl-6-oxo-1-(6-oxo-1H-pyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid IUPAC Name: 4-[3-methyl-6-oxo-1-(6-oxo-1H-pyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid Traditional Name: 4-[6-keto-1-(6-keto-1H-pyridazin-3-yl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid Formula: C18H15N5O4 MolecularWeight: 365.3428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CC(=O)N=C2N(N1)C3=NNC(=O)C=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C2C(CC(=O)N=C2N(N1)C3=NNC(=O)C=C3)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)