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

Systemtic Name: dimethyl 2,5-bis[(2-fluorophenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dimethyl 2,5-bis(2-fluoroanilino)cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2,5-bis(2-fluoroanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,5-bis(2-fluoroanilino)cyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2,5-bis(2-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=C2F)C(=O)OC)NC3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=C(CC(=C(C1)NC2=CC=CC=C2F)C(=O)OC)NC3=CC=CC=C3F

InChI

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