3-[3,5-dimethyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3,5-dimethyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazol-4-yl]propanoic acid Openeye Name: 3-[3,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]propanoic acid CAS Name: 3-[3,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(6-keto-1H-pyridazin-3-yl)-3,5-dimethyl-pyrazol-4-yl]propionic acid Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=NNC(=O)C=C2)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=NNC(=O)C=C2)C)CCC(=O)O

InChI

InChI=1S/C12H14N4O3/c1-7-9(3-6-12(18)19)8(2)16(15-7)10-4-5-11(17)14-13-10/h4-5H,3,6H2,1-2H3,(H,14,17)(H,18,19)