2-(3,7-dimethyl-4-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)propanoic acid

Systemtic Name: 2-(3,7-dimethyl-4-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)propanoic acid Openeye Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)propanoic acid CAS Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-5-pyrazolo[3,4-d]pyridazinyl)propanoic acid IUPAC Name: 2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)propanoic acid Traditional Name: 2-(4-keto-3,7-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)propionic acid Formula: C16H16N4O3 MolecularWeight: 312.32324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN1C3=CC=CC=C3)C(=NN(C2=O)C(C)C(=O)O)C

Isomeric SMILES

CC1=C2C(=NN1C3=CC=CC=C3)C(=NN(C2=O)C(C)C(=O)O)C

InChI

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