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

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(E)-cinnamyl]pyrazole-4-carboxylic acid CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]pyrazole-4-carboxylic acid Traditional Name: 1-[(E)-cinnamyl]pyrazole-4-carboxylic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCN2C=C(C=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C13H12N2O2/c16-13(17)12-9-14-15(10-12)8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2,(H,16,17)/b7-4+