(2-bromanyl-4,5-diethoxy-phenyl)methyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C23H22BrNO6 MolecularWeight: 488.32788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)Br)OCC

InChI

InChI=1S/C23H22BrNO6/c1-4-9-25-21(26)16-8-7-14(10-17(16)22(25)27)23(28)31-13-15-11-19(29-5-2)20(30-6-3)12-18(15)24/h4,7-8,10-12H,1,5-6,9,13H2,2-3H3