4-[3-oxidanylidene-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[3-oxidanylidene-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[5-(2-hydroxy-1-methyl-2-oxo-ethyl)-3-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[5-(1-hydroxy-1-oxopropan-2-yl)-3-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[5-(1-hydroxy-1-oxopropan-2-yl)-3-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[3-(2-hydroxy-2-keto-1-methyl-ethyl)-5-keto-3-pyrazolin-1-yl]benzoic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H12N2O5/c1-7(12(17)18)10-6-11(16)15(14-10)9-4-2-8(3-5-9)13(19)20/h2-7,14H,1H3,(H,17,18)(H,19,20)