4-(4-ethanoyl-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoic acid

Systemtic Name: 4-(4-ethanoyl-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoic acid Openeye Name: 4-(4-acetyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid CAS Name: 4-(4-acetyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid IUPAC Name: 4-(4-acetyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid Traditional Name: 4-(4-acetyl-5-keto-3-methyl-3-pyrazolin-1-yl)benzoic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c1-7-11(8(2)16)12(17)15(14-7)10-5-3-9(4-6-10)13(18)19/h3-6,14H,1-2H3,(H,18,19)