[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: [2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-quinoxalin-2-ylprop-2-enoate Openeye Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl] 3-quinoxalin-2-ylprop-2-enoate CAS Name: 3-(2-quinoxalinyl)-2-propenoic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 3-quinoxalin-2-ylprop-2-enoate Traditional Name: 3-quinoxalin-2-ylacrylic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C21H13F6N3O3 MolecularWeight: 469.336639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C=CC(=O)OCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C=CC(=O)OCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H13F6N3O3/c22-20(23,24)12-7-13(21(25,26)27)9-15(8-12)30-18(31)11-33-19(32)6-5-14-10-28-16-3-1-2-4-17(16)29-14/h1-10H,11H2,(H,30,31)