2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]ethanoic acid

Systemtic Name: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]ethanoic acid Openeye Name: 2-[3,4-dimethyl-7-oxo-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-6-yl]acetic acid CAS Name: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-6-pyrazolo[3,4-d]pyridazinyl]acetic acid IUPAC Name: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]acetic acid Traditional Name: 2-[7-keto-3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-6-yl]acetic acid Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC(=O)O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C3C(=NN(C(=O)C3=N2)CC(=O)O)C)C

InChI

InChI=1S/C16H16N4O3/c1-9-4-6-12(7-5-9)20-11(3)14-10(2)17-19(8-13(21)22)16(23)15(14)18-20/h4-7H,8H2,1-3H3,(H,21,22)