[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 1,3-dioxo-2-sec-butyl-isoindoline-5-carboxylate CAS Name: 2-butan-2-yl-1,3-dioxo-5-isoindolecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 2-butan-2-yl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-sec-butyl-isoindoline-5-carboxylic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO5/c1-3-12(2)23-19(25)16-9-6-14(10-17(16)20(23)26)21(27)28-11-18(24)13-4-7-15(22)8-5-13/h4-10,12H,3,11H2,1-2H3