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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C=N2)C=CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)O

InChI

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