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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 3-(2-bromo-4,5-dimethoxy-phenyl)propanoate CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 3-(2-bromo-4,5-dimethoxyphenyl)propanoate Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)propionic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C22H21Br2NO6 MolecularWeight: 555.21324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Br2NO6/c1-29-18-10-13(17(24)12-19(18)30-2)4-7-20(26)31-9-3-8-25-21(27)15-6-5-14(23)11-16(15)22(25)28/h5-6,10-12H,3-4,7-9H2,1-2H3