4-(2-chloranylprop-2-enoxy)-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-(2-chloranylprop-2-enoxy)-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-(2-chloroallyloxy)-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-(2-chloroprop-2-enoxy)-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-(2-chloroprop-2-enoxy)-1-phenylpyrazole-3-carboxylic acid Traditional Name: 4-(2-chloroallyloxy)-1-phenyl-pyrazole-3-carboxylic acid Formula: C13H11ClN2O3 MolecularWeight: 278.69104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(COC1=CN(N=C1C(=O)O)C2=CC=CC=C2)Cl

Isomeric SMILES

C=C(COC1=CN(N=C1C(=O)O)C2=CC=CC=C2)Cl

InChI

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