(E)-3-(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)acrylic acid Formula: C11H16N2O2 MolecularWeight: 208.25694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)C=CC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)/C=C/C(=O)O

InChI

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