dimethyl 2,5-bis[(3-fluorophenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate

Systemtic Name: dimethyl 2,5-bis[(3-fluorophenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dimethyl 2,5-bis(3-fluoroanilino)cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2,5-bis(3-fluoroanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,5-bis(3-fluoroanilino)cyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2,5-bis(3-fluoroanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester Formula: C22H20F2N2O4 MolecularWeight: 414.402006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC(=C(C1)NC2=CC(=CC=C2)F)C(=O)OC)NC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=C(CC(=C(C1)NC2=CC(=CC=C2)F)C(=O)OC)NC3=CC(=CC=C3)F

InChI

InChI=1S/C22H20F2N2O4/c1-29-21(27)17-11-20(26-16-8-4-6-14(24)10-16)18(22(28)30-2)12-19(17)25-15-7-3-5-13(23)9-15/h3-10,25-26H,11-12H2,1-2H3