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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-anilino-2-oxo-ethyl) (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 (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (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 (2-anilino-2-keto-ethyl) ester Formula: C21H17ClFN3O3 MolecularWeight: 413.829383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)NC2=CC=CC=C2)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=CC=CC=C2)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H17ClFN3O3/c1-14-18(21(22)26(25-14)17-9-7-15(23)8-10-17)11-12-20(28)29-13-19(27)24-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,24,27)/b12-11+