dimethyl 5-[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(5-chloro-2-fluoro-anilino)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(5-chloro-2-fluoroanilino)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(5-chloro-2-fluoroanilino)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(5-chloro-2-fluoro-anilino)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16ClFN2O5 MolecularWeight: 394.781443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CNC2=C(C=CC(=C2)Cl)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CNC2=C(C=CC(=C2)Cl)F)C(=O)OC

InChI

InChI=1S/C18H16ClFN2O5/c1-26-17(24)10-5-11(18(25)27-2)7-13(6-10)22-16(23)9-21-15-8-12(19)3-4-14(15)20/h3-8,21H,9H2,1-2H3,(H,22,23)