3-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)propanoic acid

Systemtic Name: 3-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)propanoic acid Openeye Name: 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanoic acid CAS Name: 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanoic acid IUPAC Name: 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanoic acid Traditional Name: 3-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)propionic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1CCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O3/c1-9-11(7-8-12(16)17)13(18)15(14-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,16,17)