dimethyl 5-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-fluoro-4-(trifluoromethyl)benzyl]carbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H16F4N2O5 MolecularWeight: 428.334353

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NCC2=C(C=C(C=C2)C(F)(F)F)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NCC2=C(C=C(C=C2)C(F)(F)F)F)C(=O)OC

InChI

InChI=1S/C19H16F4N2O5/c1-29-16(26)11-5-12(17(27)30-2)7-14(6-11)25-18(28)24-9-10-3-4-13(8-15(10)20)19(21,22)23/h3-8H,9H2,1-2H3,(H2,24,25,28)