3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3,4,5-trimethoxybenzoate

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3,4,5-trimethoxybenzoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C21H20BrNO7 MolecularWeight: 478.29

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H20BrNO7/c1-27-16-9-12(10-17(28-2)18(16)29-3)21(26)30-8-4-7-23-19(24)14-6-5-13(22)11-15(14)20(23)25/h5-6,9-11H,4,7-8H2,1-3H3