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

Systemtic Name: 2-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C12H11ClN2O4 MolecularWeight: 282.67974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)O)CCO)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)O)CCO)Cl

InChI

InChI=1S/C12H11ClN2O4/c13-7-1-3-8(4-2-7)15-11(17)9(5-6-16)10(14-15)12(18)19/h1-4,14,16H,5-6H2,(H,18,19)