2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoic acid

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoic acid Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetic acid Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)O

InChI

InChI=1S/C13H14N2O2/c1-9-12(8-13(16)17)10(2)15(14-9)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17)