ethyl 3-[(4-ethoxycarbonylphenyl)amino]-7-(trifluoromethyl)quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[(4-ethoxycarbonylphenyl)amino]-7-(trifluoromethyl)quinoxaline-2-carboxylate Openeye Name: ethyl 3-(4-ethoxycarbonylanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate CAS Name: 3-(4-ethoxycarbonylanilino)-7-(trifluoromethyl)-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-ethoxycarbonylanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate Traditional Name: 3-(4-carbethoxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid ethyl ester Formula: C21H18F3N3O4 MolecularWeight: 433.38053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)OCC

InChI

InChI=1S/C21H18F3N3O4/c1-3-30-19(28)12-5-8-14(9-6-12)25-18-17(20(29)31-4-2)26-16-11-13(21(22,23)24)7-10-15(16)27-18/h5-11H,3-4H2,1-2H3,(H,25,27)