(5-cyano-2-fluoranyl-phenyl)methyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 2-(4-acetamidophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamidophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamidophenyl)-1,3-diketo-isoindoline-5-carboxylic acid (5-cyano-2-fluoro-benzyl) ester Formula: C25H16FN3O5 MolecularWeight: 457.410043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=C(C=CC(=C4)C#N)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=C(C=CC(=C4)C#N)F

InChI

InChI=1S/C25H16FN3O5/c1-14(30)28-18-4-6-19(7-5-18)29-23(31)20-8-3-16(11-21(20)24(29)32)25(33)34-13-17-10-15(12-27)2-9-22(17)26/h2-11H,13H2,1H3,(H,28,30)