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

Systemtic Name: cyanomethyl (E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: cyanomethyl (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 cyanomethyl ester IUPAC Name: cyanomethyl (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 cyanomethyl ester Formula: C15H11ClFN3O2 MolecularWeight: 319.718143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClFN3O2/c1-10-13(6-7-14(21)22-9-8-18)15(16)20(19-10)12-4-2-11(17)3-5-12/h2-7H,9H2,1H3/b7-6+