1-(4-chlorophenyl)-4-ethoxycarbonyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)-4-ethoxycarbonyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-chlorophenyl)-4-ethoxycarbonyl-5-isobutyl-pyrazole-3-carboxylic acid CAS Name: 1-(4-chlorophenyl)-4-ethoxycarbonyl-5-(2-methylpropyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-chlorophenyl)-4-ethoxycarbonyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid Traditional Name: 4-carbethoxy-1-(4-chlorophenyl)-5-isobutyl-pyrazole-3-carboxylic acid Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)Cl)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)Cl)CC(C)C

InChI

InChI=1S/C17H19ClN2O4/c1-4-24-17(23)14-13(9-10(2)3)20(19-15(14)16(21)22)12-7-5-11(18)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,21,22)