(E)-3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-(5-isobutyl-1H-pyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-propenoic acid IUPAC Name: (E)-3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-(5-isobutyl-1H-pyrazol-4-yl)acrylic acid Formula: C10H14N2O2 MolecularWeight: 194.23036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=NN1)C=CC(=O)O

Isomeric SMILES

CC(C)CC1=C(C=NN1)/C=C/C(=O)O

InChI

InChI=1S/C10H14N2O2/c1-7(2)5-9-8(6-11-12-9)3-4-10(13)14/h3-4,6-7H,5H2,1-2H3,(H,11,12)(H,13,14)/b4-3+