1-(4-chlorophenyl)-4-oxidanyl-5-prop-2-enyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)-4-oxidanyl-5-prop-2-enyl-pyrazole-3-carboxylic acid Openeye Name: 5-allyl-1-(4-chlorophenyl)-4-hydroxy-pyrazole-3-carboxylic acid CAS Name: 1-(4-chlorophenyl)-4-hydroxy-5-prop-2-enyl-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-chlorophenyl)-4-hydroxy-5-prop-2-enylpyrazole-3-carboxylic acid Traditional Name: 5-allyl-1-(4-chlorophenyl)-4-hydroxy-pyrazole-3-carboxylic acid Formula: C13H11ClN2O3 MolecularWeight: 278.69104

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C(=NN1C2=CC=C(C=C2)Cl)C(=O)O)O

Isomeric SMILES

C=CCC1=C(C(=NN1C2=CC=C(C=C2)Cl)C(=O)O)O

InChI

InChI=1S/C13H11ClN2O3/c1-2-3-10-12(17)11(13(18)19)15-16(10)9-6-4-8(14)5-7-9/h2,4-7,17H,1,3H2,(H,18,19)