1-[(E)-but-2-enyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(E)-but-2-enyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(E)-but-2-enyl]pyrazole-4-carboxylic acid CAS Name: 1-[(E)-but-2-enyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(E)-but-2-enyl]pyrazole-4-carboxylic acid Traditional Name: 1-[(E)-but-2-enyl]pyrazole-4-carboxylic acid Formula: C8H10N2O2 MolecularWeight: 166.1772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C=C(C=N1)C(=O)O

Isomeric SMILES

C/C=C/CN1C=C(C=N1)C(=O)O

InChI

InChI=1S/C8H10N2O2/c1-2-3-4-10-6-7(5-9-10)8(11)12/h2-3,5-6H,4H2,1H3,(H,11,12)/b3-2+