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

Systemtic Name: 1,3-benzodioxol-5-yl (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 1,3-benzodioxol-5-yl (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid 1,3-benzodioxol-5-yl ester Formula: C21H17FN2O4 MolecularWeight: 380.369083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C=CC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17FN2O4/c1-13-18(14(2)24(23-13)16-5-3-15(22)4-6-16)8-10-21(25)28-17-7-9-19-20(11-17)27-12-26-19/h3-11H,12H2,1-2H3/b10-8+