4-acetyloxy-1-(4-chlorophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-acetyloxy-1-(4-chlorophenyl)pyrazole-3-carboxylic acid Openeye Name: 4-acetoxy-1-(4-chlorophenyl)pyrazole-3-carboxylic acid CAS Name: 4-acetyloxy-1-(4-chlorophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-acetyloxy-1-(4-chlorophenyl)pyrazole-3-carboxylic acid Traditional Name: 4-acetoxy-1-(4-chlorophenyl)pyrazole-3-carboxylic acid Formula: C12H9ClN2O4 MolecularWeight: 280.66386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CN(N=C1C(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)OC1=CN(N=C1C(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H9ClN2O4/c1-7(16)19-10-6-15(14-11(10)12(17)18)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,17,18)