[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C28H21ClF3N3O3 MolecularWeight: 539.93285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C4=CC=CC=C4

InChI

InChI=1S/C28H21ClF3N3O3/c1-18-7-9-19(10-8-18)27-20(16-35(34-27)22-5-3-2-4-6-22)11-14-26(37)38-17-25(36)33-24-15-21(28(30,31)32)12-13-23(24)29/h2-16H,17H2,1H3,(H,33,36)