hexyl 2-(2-chlorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: hexyl 2-(2-chlorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: hexyl 2-(2-chlorophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-chlorophenyl)-1,3-dioxo-5-isoindolecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2-chlorophenyl)-1,3-diketo-isoindoline-5-carboxylic acid hexyl ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClNO4/c1-2-3-4-7-12-27-21(26)14-10-11-15-16(13-14)20(25)23(19(15)24)18-9-6-5-8-17(18)22/h5-6,8-11,13H,2-4,7,12H2,1H3