2-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)propanoic acid

Systemtic Name: 2-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)propanoic acid Openeye Name: 2-(5,7-dimethyl-4-oxo-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)propanoic acid CAS Name: 2-(5,7-dimethyl-4-oxo-3-phenyl-6-pyrrolo[3,4-d]pyridazinyl)propanoic acid IUPAC Name: 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanoic acid Traditional Name: 2-(4-keto-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)propionic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C(=O)C2=C(N1C(C)C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C=NN(C(=O)C2=C(N1C(C)C(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3/c1-10-14-9-18-20(13-7-5-4-6-8-13)16(21)15(14)11(2)19(10)12(3)17(22)23/h4-9,12H,1-3H3,(H,22,23)