(E)-3-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (E)-3-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-(1-benzyl-3-tert-butyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-(1-benzyl-3-tert-butylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-3-tert-butyl-pyrazol-4-yl)acrylate Formula: C17H19N2O2- MolecularWeight: 283.34496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1C=CC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C=C1/C=C/C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O2/c1-17(2,3)16-14(9-10-15(20)21)12-19(18-16)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,20,21)/p-1/b10-9+