2-(2,4-dimethylphenyl)-4-(2-hydroxyethyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(2,4-dimethylphenyl)-4-(2-hydroxyethyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(2,4-dimethylphenyl)-4-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(2,4-dimethylphenyl)-4-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(2,4-dimethylphenyl)-4-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(2,4-dimethylphenyl)-4-(2-hydroxyethyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-8-3-4-11(9(2)7-8)16-13(18)10(5-6-17)12(15-16)14(19)20/h3-4,7,15,17H,5-6H2,1-2H3,(H,19,20)