1-[(E)-3-chloranylprop-2-enyl]-3-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[(E)-3-chloranylprop-2-enyl]-3-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-[(E)-3-chloroallyl]-3-methyl-pyrazole-4-carboxylic acid CAS Name: 1-[(E)-3-chloroprop-2-enyl]-3-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[(E)-3-chloroprop-2-enyl]-3-methylpyrazole-4-carboxylic acid Traditional Name: 1-[(E)-3-chloroallyl]-3-methyl-pyrazole-4-carboxylic acid Formula: C8H9ClN2O2 MolecularWeight: 200.62226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)O)CC=CCl

Isomeric SMILES

CC1=NN(C=C1C(=O)O)C/C=C/Cl

InChI

InChI=1S/C8H9ClN2O2/c1-6-7(8(12)13)5-11(10-6)4-2-3-9/h2-3,5H,4H2,1H3,(H,12,13)/b3-2+