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

Systemtic Name: 3-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propanoic acid Openeye Name: 3-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propanoic acid CAS Name: 3-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)propanoic acid IUPAC Name: 3-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanoic acid Traditional Name: 3-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propionic acid Formula: C16H16N4O3 MolecularWeight: 312.32324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3/c1-10-14-11(2)20(12-6-4-3-5-7-12)18-15(14)16(23)19(17-10)9-8-13(21)22/h3-7H,8-9H2,1-2H3,(H,21,22)