(2-bromanyl-4,5-diethoxy-phenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-phthalimidoacetic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C21H20BrNO6 MolecularWeight: 462.2906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O)Br)OCC

InChI

InChI=1S/C21H20BrNO6/c1-3-27-17-9-13(16(22)10-18(17)28-4-2)12-29-19(24)11-23-20(25)14-7-5-6-8-15(14)21(23)26/h5-10H,3-4,11-12H2,1-2H3