(E)-3-(3-tert-butyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (E)-3-(3-tert-butyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (E)-3-(3-tert-butyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3-tert-butyl-1-phenyl-4-pyrazolyl)-2-propenoate IUPAC Name: (E)-3-(3-tert-butyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3-tert-butyl-1-phenyl-pyrazol-4-yl)acrylate Formula: C16H17N2O2- MolecularWeight: 269.31838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2/c1-16(2,3)15-12(9-10-14(19)20)11-18(17-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20)/p-1/b10-9+