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

Systemtic Name: hexyl 2-(3-aminophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: hexyl 2-(3-aminophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-aminophenyl)-1,3-dioxo-5-isoindolecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(3-aminophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-aminophenyl)-1,3-diketo-isoindoline-5-carboxylic acid hexyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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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=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-2-3-4-5-11-27-21(26)14-9-10-17-18(12-14)20(25)23(19(17)24)16-8-6-7-15(22)13-16/h6-10,12-13H,2-5,11,22H2,1H3