3-oxidanylidenebutan-2-yl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 2-(4-acetamidophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamidophenyl)-1,3-dioxo-5-isoindolecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamidophenyl)-1,3-diketo-isoindoline-5-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H18N2O6/c1-11(24)12(2)29-21(28)14-4-9-17-18(10-14)20(27)23(19(17)26)16-7-5-15(6-8-16)22-13(3)25/h4-10,12H,1-3H3,(H,22,25)