(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-(1,3-dimethyl-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(1,3-dimethylpyrazol-4-yl)acrylic acid Formula: C8H10N2O2 MolecularWeight: 166.1772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=CC(=O)O)C

Isomeric SMILES

CC1=NN(C=C1/C=C/C(=O)O)C

InChI

InChI=1S/C8H10N2O2/c1-6-7(3-4-8(11)12)5-10(2)9-6/h3-5H,1-2H3,(H,11,12)/b4-3+