3-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanoic acid Openeye Name: 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoic acid CAS Name: 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoic acid IUPAC Name: 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(4-fluorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]propionic acid Formula: C13H13FN2O3 MolecularWeight: 264.252323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)CCC(=O)O

InChI

InChI=1S/C13H13FN2O3/c1-8-11(6-7-12(17)18)13(19)16(15-8)10-4-2-9(14)3-5-10/h2-5,15H,6-7H2,1H3,(H,17,18)