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

Systemtic Name: 2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-5-(4-chlorophenyl)pyrazole-3-carboxylic acid Openeye Name: 2-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-5-(4-chlorophenyl)pyrazole-3-carboxylic acid CAS Name: 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-(4-chlorophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-(4-chlorophenyl)pyrazole-3-carboxylic acid Traditional Name: 2-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-5-(4-chlorophenyl)pyrazole-3-carboxylic acid Formula: C19H16Cl2N2O4 MolecularWeight: 407.24734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=C2)C(=O)O)CC(COC3=CC=C(C=C3)Cl)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=C2)C(=O)O)CC(COC3=CC=C(C=C3)Cl)O)Cl

InChI

InChI=1S/C19H16Cl2N2O4/c20-13-3-1-12(2-4-13)17-9-18(19(25)26)23(22-17)10-15(24)11-27-16-7-5-14(21)6-8-16/h1-9,15,24H,10-11H2,(H,25,26)