1-[(E)-3-chloranylprop-2-enyl]-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[(E)-3-chloranylprop-2-enyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[(E)-3-chloroallyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[(E)-3-chloroprop-2-enyl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[(E)-3-chloroprop-2-enyl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-[(E)-3-chloroallyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C9H11ClN2O2 MolecularWeight: 214.64884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC=CCl)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C/C=C/Cl)C)C(=O)O

InChI

InChI=1S/C9H11ClN2O2/c1-6-8(9(13)14)7(2)12(11-6)5-3-4-10/h3-4H,5H2,1-2H3,(H,13,14)/b4-3+