(E)-3-[5-(2-methylphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(2-methylphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(o-tolyl)-1H-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(2-methylphenyl)-1H-pyrazol-4-yl]-2-propenoic acid IUPAC Name: (E)-3-[5-(2-methylphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(o-tolyl)-1H-pyrazol-4-yl]acrylic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=NN2)C=CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=NN2)/C=C/C(=O)O

InChI

InChI=1S/C13H12N2O2/c1-9-4-2-3-5-11(9)13-10(8-14-15-13)6-7-12(16)17/h2-8H,1H3,(H,14,15)(H,16,17)/b7-6+