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

Systemtic Name: phenacyl (E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: phenacyl (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 phenacyl ester IUPAC Name: phenacyl (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 phenacyl ester Formula: C21H16ClFN2O3 MolecularWeight: 398.814743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)C2=CC=CC=C2)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)C2=CC=CC=C2)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H16ClFN2O3/c1-14-18(21(22)25(24-14)17-9-7-16(23)8-10-17)11-12-20(27)28-13-19(26)15-5-3-2-4-6-15/h2-12H,13H2,1H3/b12-11+