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

Systemtic Name: (4-tert-butylphenyl) (E)-3-[5-chloranyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-tert-butylphenyl) (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 (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) (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 (4-tert-butylphenyl) ester Formula: C18H18ClF3N2O2 MolecularWeight: 386.79593

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C=CC2=C(N(N=C2C(F)(F)F)C)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)/C=C/C2=C(N(N=C2C(F)(F)F)C)Cl

InChI

InChI=1S/C18H18ClF3N2O2/c1-17(2,3)11-5-7-12(8-6-11)26-14(25)10-9-13-15(18(20,21)22)23-24(4)16(13)19/h5-10H,1-4H3/b10-9+