1,3-benzodioxol-5-yl (E)-3-[5-chloranyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: 1,3-benzodioxol-5-yl (E)-3-[5-chloranyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 1,3-benzodioxol-5-yl (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-4-pyrazolyl]-2-propenoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acrylic acid 1,3-benzodioxol-5-yl ester Formula: C15H10ClF3N2O4 MolecularWeight: 374.69911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C=CC(=O)OC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)/C=C/C(=O)OC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C15H10ClF3N2O4/c1-21-14(16)9(13(20-21)15(17,18)19)3-5-12(22)25-8-2-4-10-11(6-8)24-7-23-10/h2-6H,7H2,1H3/b5-3+