(E)-3-(3-tert-butyl-1-methyl-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-tert-butyl-1-methyl-pyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-tert-butyl-1-methyl-pyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-(3-tert-butyl-1-methyl-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-3-(3-tert-butyl-1-methylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-tert-butyl-1-methyl-pyrazol-4-yl)acrylic acid Formula: C11H16N2O2 MolecularWeight: 208.25694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1C=CC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O2/c1-11(2,3)10-8(5-6-9(14)15)7-13(4)12-10/h5-7H,1-4H3,(H,14,15)/b6-5+