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

Systemtic Name: 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanoic acid Openeye Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetic acid CAS Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetic acid IUPAC Name: 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetic acid Traditional Name: 2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C13H14N2O3/c1-9-11(8-12(16)17)13(18)15(14(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,16,17)