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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3,4-dimethoxybenzoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C20H18BrNO6 MolecularWeight: 448.26402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)OC

InChI

InChI=1S/C20H18BrNO6/c1-26-16-7-4-12(10-17(16)27-2)20(25)28-9-3-8-22-18(23)14-6-5-13(21)11-15(14)19(22)24/h4-7,10-11H,3,8-9H2,1-2H3