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

Systemtic Name: (E)-3-[1-(3,5-dimethylphenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-[1-(3,5-dimethylphenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(3,5-dimethylphenyl)-3,5-dimethyl-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(3,5-dimethylphenyl)-3,5-dimethyl-pyrazol-4-yl]acrylate Formula: C16H17N2O2- MolecularWeight: 269.31838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2/c1-10-7-11(2)9-14(8-10)18-13(4)15(12(3)17-18)5-6-16(19)20/h5-9H,1-4H3,(H,19,20)/p-1/b6-5+