(4-cyanophenyl) (E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-cyanophenyl) (E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-cyanophenyl) (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-2-propenoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]acrylic acid (4-cyanophenyl) ester Formula: C20H13ClFN3O2 MolecularWeight: 381.787523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC2=CC=C(C=C2)C#N)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC2=CC=C(C=C2)C#N)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H13ClFN3O2/c1-13-18(20(21)25(24-13)16-6-4-15(22)5-7-16)10-11-19(26)27-17-8-2-14(12-23)3-9-17/h2-11H,1H3/b11-10+