2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-5-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 2-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-phenylpyrazole-3-carboxylic acid Traditional Name: 2-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-5-phenyl-pyrazole-3-carboxylic acid Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)CC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C19H17ClN2O4/c20-14-6-8-16(9-7-14)26-12-15(23)11-22-18(19(24)25)10-17(21-22)13-4-2-1-3-5-13/h1-10,15,23H,11-12H2,(H,24,25)