(E)-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(3,5-dimethyl-1-pyrazolyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acrylic acid Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2C=CC(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2/C=C/C(=O)O)C

InChI

InChI=1S/C14H14N2O2/c1-10-9-11(2)16(15-10)13-6-4-3-5-12(13)7-8-14(17)18/h3-9H,1-2H3,(H,17,18)/b8-7+