4-(4-ethanoyl-2-oxidanyl-pyrazol-3-yl)-3-methyl-benzoic acid

Systemtic Name: 4-(4-ethanoyl-2-oxidanyl-pyrazol-3-yl)-3-methyl-benzoic acid Openeye Name: 4-(4-acetyl-2-hydroxy-pyrazol-3-yl)-3-methyl-benzoic acid CAS Name: 4-(4-acetyl-2-hydroxy-3-pyrazolyl)-3-methylbenzoic acid IUPAC Name: 4-(4-acetyl-2-hydroxypyrazol-3-yl)-3-methylbenzoic acid Traditional Name: 4-(4-acetyl-2-hydroxy-pyrazol-3-yl)-3-methyl-benzoic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=C(C=NN2O)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=C(C=NN2O)C(=O)C

InChI

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