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

Systemtic Name: 3-[4-(2-hydroxyethyl)-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 3-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 3-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 3-[4-(2-hydroxyethyl)-5-keto-3-methyl-3-pyrazolin-1-yl]benzoic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-8-11(5-6-16)12(17)15(14-8)10-4-2-3-9(7-10)13(18)19/h2-4,7,14,16H,5-6H2,1H3,(H,18,19)