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

Systemtic Name: 4-(3-ethanoyl-5-oxidanylidene-4H-pyrazol-1-yl)-3-methyl-benzoic acid Openeye Name: 4-(3-acetyl-5-oxo-4H-pyrazol-1-yl)-3-methyl-benzoic acid CAS Name: 4-(3-acetyl-5-oxo-4H-pyrazol-1-yl)-3-methylbenzoic acid IUPAC Name: 4-(3-acetyl-5-oxo-4H-pyrazol-1-yl)-3-methylbenzoic acid Traditional Name: 4-(3-acetyl-5-keto-2-pyrazolin-1-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)N2C(=O)CC(=N2)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)N2C(=O)CC(=N2)C(=O)C

InChI

InChI=1S/C13H12N2O4/c1-7-5-9(13(18)19)3-4-11(7)15-12(17)6-10(14-15)8(2)16/h3-5H,6H2,1-2H3,(H,18,19)