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

Systemtic Name: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]propanoic acid Openeye Name: 2-[3,4-dimethyl-7-oxo-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-6-yl]propanoic acid CAS Name: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-6-pyrazolo[3,4-d]pyridazinyl]propanoic acid IUPAC Name: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]propanoic acid Traditional Name: 2-[7-keto-3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-6-yl]propionic acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-9-5-7-13(8-6-9)20-11(3)14-10(2)18-21(12(4)17(23)24)16(22)15(14)19-20/h5-8,12H,1-4H3,(H,23,24)