hexyl 2-(3-chloranyl-4-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: hexyl 2-(3-chloranyl-4-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: hexyl 2-(3-chloro-4-methyl-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-chloro-4-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-chloro-4-methyl-phenyl)-1,3-diketo-isoindoline-5-carboxylic acid hexyl ester Formula: C22H22ClNO4 MolecularWeight: 399.86738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO4/c1-3-4-5-6-11-28-22(27)15-8-10-17-18(12-15)21(26)24(20(17)25)16-9-7-14(2)19(23)13-16/h7-10,12-13H,3-6,11H2,1-2H3