(E)-3-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (E)-3-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-(1-mesityl-3,5-dimethyl-pyrazol-4-yl)acrylate Formula: C17H19N2O2- MolecularWeight: 283.34496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C(=C(C(=N2)C)C=CC(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C(=C(C(=N2)C)/C=C/C(=O)[O-])C)C

InChI

InChI=1S/C17H20N2O2/c1-10-8-11(2)17(12(3)9-10)19-14(5)15(13(4)18-19)6-7-16(20)21/h6-9H,1-5H3,(H,20,21)/p-1/b7-6+