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

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(2,5-dimethoxyanilino)-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-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-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-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C23H21ClFN3O5 MolecularWeight: 473.881343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClFN3O5/c1-14-18(23(24)28(27-14)16-6-4-15(25)5-7-16)9-11-22(30)33-13-21(29)26-19-12-17(31-2)8-10-20(19)32-3/h4-12H,13H2,1-3H3,(H,26,29)/b11-9+