3-[(4-ethanoyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(4-ethanoyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid Openeye Name: 3-[(4-acetyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid CAS Name: 3-[(4-acetyl-3,5-dimethyl-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 3-[(4-acetyl-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid Traditional Name: 3-[(4-acetyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)O)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)O)C)C(=O)C

InChI

InChI=1S/C15H16N2O3/c1-9-14(11(3)18)10(2)17(16-9)8-12-5-4-6-13(7-12)15(19)20/h4-7H,8H2,1-3H3,(H,19,20)